data_1l6n_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 1l6n _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 ' 7' ' ' VAL . . . . . 0.46 ' CG1' HG21 ' A' ' 34' ' ' ILE . 39.5 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.62 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.6 mt -103.59 155.42 18.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.15 179.71 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.38 -58.01 16.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.08 -40.83 23.82 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.89 -40.63 84.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' A' ' 9' ' ' SER . 6.4 tp -66.62 -43.18 85.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 3.1 t70 -56.57 -31.83 64.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -45.31 35.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.62 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 27.9 t-105 -56.65 -59.02 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -22.02 58.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 1.1 mmpt? -86.6 46.75 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.461 ' CD1' HG12 ' A' ' 84' ' ' VAL . 75.8 mt -149.15 119.21 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' CG ' ' HB3' ' A' ' 96' ' ' ASP . 4.4 ptm85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.244 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.523 0.202 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -142.53 168.46 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.462 ' CD1' HD13 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.06 -28.03 68.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -44.88 95.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -62.95 -36.07 82.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.46 HG21 ' CG1' ' A' ' 7' ' ' VAL . 5.7 mt -63.54 -50.26 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -57.04 -45.12 83.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -62.44 -39.64 94.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.15 -52.75 64.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -34.86 78.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.72 -41.24 94.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -65.1 -34.91 79.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 95.8 mt -61.72 -48.7 79.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -56.92 -32.74 66.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -71.6 -30.24 65.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -78.29 2.98 16.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 74.37 34.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 8.7 p -124.92 150.24 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -63.85 125.17 87.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.95 18.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.65 -8.1 62.67 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD1' HD12 ' A' ' 60' ' ' ILE . 22.2 mt -74.25 -24.62 59.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.5 tp -78.75 -20.71 49.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.79 -22.04 63.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.91 153.99 43.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.505 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 8.0 t -69.87 -29.17 66.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.47 -49.91 65.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -65.71 -35.35 90.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -39.62 94.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -46.05 90.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -59.19 -38.9 80.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.474 HD12 ' CD1' ' A' ' 50' ' ' LEU . 1.2 mp -67.54 -69.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.457 HD11 ' CD2' ' A' ' 79' ' ' TYR . 14.0 tp -43.9 -32.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.79 -48.91 58.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -92.77 20.99 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.275 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.487 HD23 ' CD2' ' A' ' 79' ' ' TYR . 11.9 tp -111.69 -28.45 8.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.602 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -52.75 -45.23 96.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.94 -40.37 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' GLY . 0.2 OUTLIER -68.46 -12.11 60.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.593 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.5 mt -71.12 -43.95 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.16 -7.01 51.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.446 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.15 -5.45 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.74 -99.38 0.42 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.458 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 26.8 p 167.54 -177.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.09 -41.02 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -71.32 -46.25 61.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.416 ' CD2' HD21 ' A' ' 68' ' ' LEU . 7.1 tt -59.84 -34.26 72.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.45 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 2.9 ttm-85 -61.18 -48.93 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.2 -35.2 64.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -62.32 -47.11 85.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.593 ' CD2' HD13 ' A' ' 68' ' ' LEU . 1.5 t80 -62.77 -40.67 98.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.464 ' CG ' ' CG2' ' A' ' 97' ' ' THR . 1.5 t-20 -62.82 -29.88 71.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.5 m -70.01 -46.48 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.379 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.461 ' CD1' HD13 ' A' ' 78' ' ' LEU . 7.5 mt -66.18 -43.99 91.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.517 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -49.95 -51.57 40.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 4.2 t -58.62 -43.26 87.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.56 HD21 ' CE3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -56.75 -42.94 80.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -60.81 -32.7 72.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.502 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -69.87 -39.88 76.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.331 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 43.1 t -64.79 -32.85 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.505 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 23.7 m80 -67.88 -40.22 83.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.618 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.509 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 1.7 mm-40 -85.4 -20.13 30.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 87' ' ' CYS . 1.2 ttt180 71.52 48.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.509 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.4 mp -90.29 141.33 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -62.63 106.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 9.1 m -130.62 171.94 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.07 -46.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.409 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -122.48 170.87 9.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.521 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 85.2 m -59.91 -45.48 92.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -60.41 -31.73 70.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -33.52 76.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -69.17 -38.77 78.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 1.1 mp -56.55 -46.65 80.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -72.69 -42.26 64.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.403 ' CG ' HG23 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.58 -62.19 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.517 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.7 pt -55.83 -30.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 3.5 mt-10 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.508 ' CD1' ' OD1' ' A' ' 183' ' ' ASP . 1.2 tt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.91 159.86 53.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.71 14.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.454 1.765 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -65.28 -38.08 89.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.503 ' CG2' HD11 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -73.33 -40.42 64.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.432 ' CD2' ' HA ' ' A' ' 187' ' ' MET . 17.4 mt -55.1 -43.53 74.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -64.81 -41.41 95.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.53 -49.08 77.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.571 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 27.3 t-105 -62.1 -47.28 85.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 53.1 t -45.42 -43.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -36.69 83.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.461 HG23 ' CE ' ' A' ' 171' ' ' MET . 90.0 t -63.39 -44.95 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.568 ' CG2' ' CE2' ' A' ' 155' ' ' TRP . 94.6 t -61.27 -46.73 96.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.56 -16.51 64.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.364 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.45 -52.66 7.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 168' ' ' VAL . 0.1 OUTLIER -165.09 58.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.453 ' HB1' ' CG1' ' A' ' 159' ' ' VAL . . . -39.02 -47.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -109.68 105.59 14.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.48 ' HB2' ' HD2' ' A' ' 166' ' ' PRO . 44.3 p 179.84 163.52 0.84 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.3 Cg_endo -74.98 -17.54 19.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.74 5.18 52.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 162' ' ' LYS . 0.3 OUTLIER -110.52 -32.93 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.5 mm -56.53 -44.34 99.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.95 -37.45 2.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.461 ' CE ' HG23 ' A' ' 158' ' ' VAL . 0.0 OUTLIER -62.34 -38.02 87.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.551 ' CE1' HG22 ' A' ' 266' ' ' ILE . 17.7 t80 -71.26 -44.43 65.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 177' ' ' GLU . 20.5 p -61.8 -27.5 68.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.57 -45.86 61.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.4 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.12 -10.94 59.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.6 13.99 12.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 173' ' ' SER . 10.8 pt-20 -42.6 116.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.71 65.28 0.67 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.462 ' CB ' ' OD2' ' A' ' 183' ' ' ASP . . . -103.7 170.65 7.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.534 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.8 OUTLIER -94.66 -175.77 0.5 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.38 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.2 Cg_endo -75.01 -37.25 2.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -69.59 -30.52 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . 0.508 ' OD1' ' CD1' ' A' ' 147' ' ' ILE . 3.5 t0 -82.85 -49.31 9.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.86 -38.22 87.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 181' ' ' PRO . 77.6 m-20 -64.7 -42.37 95.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.448 ' CG2' HG22 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -61.28 -47.64 85.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.414 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.571 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -63.06 -44.93 94.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.464 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 0.9 OUTLIER -66.74 -20.46 65.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.79 -48.95 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 9.2 t -66.74 -18.62 65.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.378 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.463 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -51.07 -179.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 170.44 96.57 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -143.66 -51.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -171.64 118.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.566 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.55 -37.99 74.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.53 -49.39 76.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 273' ' ' ILE . . . -59.32 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.464 ' CE ' ' HG ' ' A' ' 188' ' ' LEU . 0.5 OUTLIER -58.05 -33.35 68.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 111.01 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -62.31 -54.54 39.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.38 -39.52 83.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.472 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 1.6 tp -57.64 -42.7 83.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -62.15 -34.44 76.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -66.93 -46.35 75.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -41.35 88.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.467 HD12 ' CG1' ' A' ' 266' ' ' ILE . 15.3 mt -63.56 -55.04 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -58.47 -40.96 84.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.11 -29.72 70.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 265' ' ' TRP . 0.6 OUTLIER -63.07 -40.92 99.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.45 ' CA ' ' HA3' ' A' ' 233' ' ' GLY . . . -66.15 -50.21 64.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.02 75.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.61 -39.82 95.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -57.69 -59.43 5.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 108.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -56.37 -33.68 65.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.12 -41.91 93.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.253 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . 0.505 ' HG3' ' CD2' ' A' ' 249' ' ' TRP . 18.3 Cg_endo -74.96 141.95 27.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.54 1.81 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.69 175.86 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . 0.45 ' HA3' ' CA ' ' A' ' 209' ' ' ALA . . . -45.79 -38.27 7.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 7.0 m -66.65 -43.19 85.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 110.021 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.6 -47.37 85.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.425 HG21 ' CZ3' ' A' ' 265' ' ' TRP . 32.7 mt -60.65 -23.61 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -73.61 -22.77 59.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 99.16 17.66 26.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.24 -38.31 15.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 0.788 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 43.9 m -111.52 6.36 20.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.412 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 18.3 t -146.41 143.18 28.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -91.06 174.12 7.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.535 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 3.0 tm? -57.48 -53.31 59.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -52.39 44.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.54 71.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . 0.461 ' HG3' ' CG1' ' A' ' 258' ' ' VAL . 1.8 tp60 -65.17 -66.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.535 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 1.0 OUTLIER -48.25 -42.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.69 -51.43 58.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . 0.505 ' CD2' ' HG3' ' A' ' 231' ' ' PRO . 0.0 OUTLIER -58.7 -32.84 69.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 21.0 mtm -69.89 -41.34 74.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 13.8 t -100.75 22.43 12.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.2 OUTLIER -80.79 169.8 17.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 21.6 m-80 -121.62 111.43 33.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.97 159.3 98.2 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.996 -0.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -75.03 129.27 12.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 4.2 mt -103.5 137.99 19.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 55.4 3.97 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.461 ' CG1' ' HG3' ' A' ' 246' ' ' GLN . 2.3 t -61.68 -64.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.65 97.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.8 -38.35 85.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . 0.696 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 11.4 mt -64.46 -45.64 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . 0.521 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.2 t80 -65.15 -39.85 93.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.05 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . 0.416 ' HE2' ' N ' ' A' ' 264' ' ' ARG . 1.1 ttpt -61.82 -44.55 96.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.416 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -62.96 -31.65 72.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.696 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 53.7 m0 -61.81 -48.14 81.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 108.027 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.551 HG22 ' CE1' ' A' ' 172' ' ' PHE . 69.0 mt -57.52 -46.05 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -59.72 -36.27 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -53.53 57.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.472 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.55 -60.38 7.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.521 ' CB ' ' CD1' ' A' ' 169' ' ' ILE . 13.3 mt -45.95 -31.88 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -46.96 84.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.2 OUTLIER -69.2 -37.52 78.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 201' ' ' LEU . 52.0 mt -60.93 -45.67 97.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 165' ' ' SER . 40.3 t -69.11 -45.55 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -16.39 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 2.8 mtt -93.79 -37.86 11.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.72 18.55 14.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.0 150.18 92.52 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 34' ' ' ILE . 19.3 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.593 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 10.3 mt -104.11 151.14 23.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.83 179.57 7.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.401 1.063 . . . . 0.0 109.983 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.69 -57.63 18.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.054 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -41.15 27.13 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.23 -39.33 82.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' A' ' 9' ' ' SER . 8.4 tp -67.5 -40.5 85.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 23.3 t0 -55.88 -32.04 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -45.14 34.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.593 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 56.4 t-105 -56.38 -61.15 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 107.995 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -21.14 57.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 12.8 tttt -91.05 39.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.448 ' CD1' HG11 ' A' ' 84' ' ' VAL . 56.4 mt -141.59 136.8 31.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.418 1.074 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.525 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 1.2 m-85 . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.488 0.185 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -141.01 167.24 22.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.437 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.6 mm? -61.66 -28.03 69.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -44.74 95.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -62.8 -37.13 85.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.561 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.468 ' CG2' HG12 ' A' ' 7' ' ' VAL . 5.1 mt -62.17 -49.71 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.41 -43.5 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -62.64 -40.59 97.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.16 -52.76 64.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -34.82 76.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.053 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 -60.67 -41.11 94.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.82 -34.82 79.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 42.5 mt -58.58 -49.92 75.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -57.01 -39.43 74.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -35.78 78.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.216 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -76.01 -1.23 24.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 74.49 40.55 0.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 8.8 p -125.06 150.11 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.02 129.0 93.68 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.79 18.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.35 -8.98 60.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -72.33 -39.89 67.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.527 0.781 . . . . 0.0 109.25 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tp -66.94 -10.71 51.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.19 -21.89 36.25 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.8 154.35 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.432 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.541 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 96.2 p -70.01 -29.2 66.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.1 -50.08 65.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.456 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -69.99 -37.38 73.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.421 1.076 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.418 ' SG ' ' CG2' ' A' ' 82' ' ' ILE . 4.6 t -64.07 -39.13 93.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -60.03 -46.04 90.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.98 -28.67 69.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER -71.17 -71.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.501 HD11 ' CD2' ' A' ' 79' ' ' TYR . 13.9 tp -46.43 -31.07 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.18 -49.08 42.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.25 18.6 5.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.482 HD22 ' CD2' ' A' ' 79' ' ' TYR . 14.6 tp -112.12 -26.97 8.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.6 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 5.3 tm0? -52.86 -45.15 97.61 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.274 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -74.97 -40.36 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 71' ' ' GLY . 70.5 m -68.31 -11.95 60.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.051 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 79' ' ' TYR . 6.5 mt -71.14 -43.99 66.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.67 -7.48 52.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.446 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 3.2 t -120.31 -5.5 9.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.405 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.1 -98.46 0.38 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.496 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 32.8 p 166.4 -177.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.946 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -59.22 -41.01 87.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.21 -46.58 60.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.434 ' CD2' HD22 ' A' ' 68' ' ' LEU . 7.2 tt -59.91 -34.31 73.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.455 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -60.98 -49.51 77.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -35.23 64.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.08 -47.16 85.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.599 ' CD2' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -62.65 -42.48 99.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.467 ' CG ' ' CG2' ' A' ' 97' ' ' THR . 1.5 t-20 -60.36 -31.79 70.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.6 m -69.17 -45.08 70.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.394 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.428 HD12 ' CG2' ' A' ' 60' ' ' ILE . 23.3 mt -67.54 -38.58 80.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.538 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -52.17 -55.35 21.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.53 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.6 t -58.71 -41.11 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.568 HD11 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -57.35 -37.89 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.495 ' O ' ' CD2' ' A' ' 89' ' ' HIS . 37.8 t80 -59.83 -54.96 40.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' A' ' 92' ' ' ILE . 0.5 OUTLIER -58.5 -36.01 73.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -63.65 -40.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.541 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 0.0 OUTLIER -55.97 -40.2 72.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.522 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.519 ' HG2' ' CE1' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -86.8 -17.19 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 81.24 40.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.25 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.441 ' CG2' ' SG ' ' A' ' 87' ' ' CYS . 1.3 mp -75.91 141.23 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' N ' HG22 ' A' ' 92' ' ' ILE . 1.9 p30 -69.95 101.51 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.44 ' CG1' HG21 ' A' ' 92' ' ' ILE . 16.8 m -140.81 153.64 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -147.58 19.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.517 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 15.8 t70 -164.41 149.2 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.53 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 7.9 m -60.75 -35.12 75.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.517 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 11.5 tttt -69.56 -34.07 73.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -42.49 98.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -68.98 -38.99 79.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.492 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 0.6 OUTLIER -56.72 -45.63 81.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.82 -41.87 64.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -62.45 1.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.538 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.5 pt -56.09 -28.04 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 5.8 mt-10 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 110.255 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.471 ' CG2' HG22 ' A' ' 186' ' ' THR . 1.6 tt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.3 160.93 53.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.967 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -23.49 13.83 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -37.12 85.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.403 HG23 ' CD1' ' A' ' 147' ' ' ILE . 0.7 OUTLIER -75.5 -32.7 60.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.431 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 187' ' ' MET . 26.6 mt -64.95 -43.18 93.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.82 -43.77 78.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.18 -49.19 76.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.557 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 19.3 t-105 -62.14 -48.77 78.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 39.7 t -47.46 -43.55 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.69 -33.41 72.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 155' ' ' TRP . 84.7 t -75.04 -37.87 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.545 ' CG2' ' CE2' ' A' ' 155' ' ' TRP . 6.4 t -63.41 -42.29 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.62 -35.68 52.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.389 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.55 -27.8 66.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -129.47 -76.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.221 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.52 -47.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 277' ' ' TYR . 32.2 p90 -150.77 112.58 4.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.578 1.174 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.439 ' HB2' ' HD2' ' A' ' 166' ' ' PRO . 41.7 p -179.55 161.74 0.93 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.3 Cg_endo -74.94 -18.07 19.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.585 1.834 . . . . 0.0 111.052 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.6 2.34 56.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.248 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 169' ' ' ILE . 0.3 OUTLIER -108.31 -33.67 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.3 mm -51.57 -45.53 90.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.12 -34.71 3.52 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.439 1.758 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.424 ' HG2' ' CG1' ' A' ' 158' ' ' VAL . 9.8 tpt -61.97 -37.59 85.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.56 ' CE2' HG23 ' A' ' 266' ' ' ILE . 64.9 t80 -62.47 -44.37 96.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 20.8 t -62.86 -30.24 71.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.71 89.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.87 -10.08 59.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' SER . . . . . 0.443 ' CB ' HD22 ' A' ' 184' ' ' LEU . 3.8 t -108.39 14.1 25.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -43.25 111.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 40.07 64.18 1.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.7 -175.6 2.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 0.789 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.56 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.2 OUTLIER -115.35 -174.12 0.27 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.56 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.5 Cg_endo -74.93 -40.99 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 185' ' ' ASN . 3.4 tt0 -69.25 -64.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.88 -42.66 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.443 HD22 ' CB ' ' A' ' 176' ' ' SER . 55.6 mt -70.25 -39.22 75.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 182' ' ' GLN . 1.1 t30 -55.16 -41.1 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.471 HG22 ' CG2' ' A' ' 147' ' ' ILE . 0.4 OUTLIER -65.41 -43.7 89.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.477 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.557 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.6 OUTLIER -61.6 -45.49 93.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.461 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 1.0 OUTLIER -67.04 -17.73 65.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -79.82 -48.87 12.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 191' ' ' VAL . 8.3 t -71.24 -8.42 53.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.398 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.463 HG13 ' CE ' ' A' ' 198' ' ' MET . 0.5 OUTLIER -52.3 -176.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -165.69 56.49 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 197' ' ' ALA . . . -114.24 31.67 6.34 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 76.58 134.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 0.729 . . . . 0.0 109.615 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -60.36 -38.1 82.78 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.32 77.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 193' ' ' GLY . . . -59.2 -48.82 80.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.463 ' CE ' HG13 ' A' ' 191' ' ' VAL . 0.1 OUTLIER -57.88 -38.42 75.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 0.0 110.976 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -60.37 -54.52 44.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 33.4 ttp -58.82 -29.12 66.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 273' ' ' ILE . 0.9 OUTLIER -65.54 -36.88 85.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.213 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 2.1 ttpt -68.73 -29.8 68.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 0.1 OUTLIER -67.27 -46.9 72.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -48.93 34.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 266' ' ' ILE . 23.5 mt -59.03 -55.83 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.369 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 55.3 t30 -58.47 -38.81 78.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 2.7 tm-20 -65.62 -29.36 69.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . 0.4 ' HG2' ' CD1' ' A' ' 265' ' ' TRP . 1.0 OUTLIER -65.42 -38.59 90.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.242 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.567 ' HB3' ' CH2' ' A' ' 265' ' ' TRP . . . -71.72 -49.91 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.5 -48.08 75.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -67.69 -36.91 81.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -57.73 -61.68 2.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 107.971 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -56.44 -33.32 65.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -59.2 -35.54 73.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.563 1.164 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 137.7 22.13 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.433 1.754 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.09 -178.56 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.236 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . . . . . . . . . . . -53.41 -38.84 58.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 13.2 t -63.19 -41.64 99.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.958 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.19 -38.23 90.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.474 ' CG2' HG21 ' A' ' 258' ' ' VAL . 24.2 mt -60.44 -29.08 43.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.9 -23.09 61.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.182 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 95.35 21.0 25.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.36 -38.27 16.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 24.4 m -102.45 -1.67 30.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 44.4 t -142.15 151.82 42.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.545 ' CG2' ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -90.05 176.03 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 110.445 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.554 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 3.0 tm? -67.18 -50.59 60.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . 0.428 ' N ' HG23 ' A' ' 242' ' ' THR . 16.5 tt0 -51.61 -53.6 36.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.05 -31.43 71.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . 0.44 ' CG ' HG13 ' A' ' 258' ' ' VAL . 0.0 OUTLIER -63.95 -67.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.554 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 1.0 OUTLIER -46.54 -40.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.42 -50.05 71.83 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.566 1.166 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.62 -31.58 72.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 250' ' ' MET . . . . . 0.402 ' HE1' ' CB ' ' A' ' 180' ' ' THR . 7.7 mtm -66.94 -23.64 65.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 15.1 t -117.9 21.82 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.427 ' O ' ' CA ' ' A' ' 255' ' ' PRO . 49.7 t-80 -93.32 172.4 8.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -119.69 114.15 34.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.36 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 159.21 98.34 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 120.994 -2.503 . . . . 0.0 111.01 0.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.427 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.07 121.11 6.35 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.483 1.78 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 5.9 mt -90.02 116.42 66.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 109.344 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.423 ' O ' ' CD1' ' A' ' 261' ' ' ILE . 18.2 Cg_endo -74.98 55.74 4.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.531 1.806 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.474 HG21 ' CG2' ' A' ' 236' ' ' ILE . 0.3 OUTLIER -59.84 -44.29 93.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . 0.416 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -69.81 -39.02 76.6 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.72 -32.42 70.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.299 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . 0.47 ' CG2' HD12 ' A' ' 236' ' ' ILE . 4.7 mt -73.04 -46.18 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . 0.546 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 8.5 t80 -65.35 -48.47 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.33 -38.8 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 2.7 mtt-85 -62.76 -36.44 83.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.244 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 209' ' ' ALA . 54.7 m0 -62.01 -43.59 98.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.031 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.56 HG23 ' CE2' ' A' ' 172' ' ' PHE . 36.1 mt -57.17 -47.54 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -28.83 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -57.65 11.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 272' ' ' LYS . . . -62.17 -57.26 17.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.456 ' CB ' ' CD1' ' A' ' 169' ' ' ILE . 11.1 mt -45.98 -35.66 4.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -40.18 96.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 269' ' ' GLY . 54.1 tttt -69.14 -37.74 78.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . 0.467 ' CD1' HD13 ' A' ' 201' ' ' LEU . 35.9 mt -62.29 -46.18 97.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 165' ' ' SER . 77.3 t -68.73 -41.8 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -16.38 64.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.0 -37.87 12.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 0.57 ' HB3' ' CD2' ' A' ' 164' ' ' PHE . 0.7 OUTLIER -99.23 14.65 28.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.46 154.96 71.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.459 HG13 ' CG2' ' A' ' 34' ' ' ILE . 3.6 t . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.562 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.8 mt -106.81 153.96 21.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.11 179.82 7.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.052 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.93 -57.57 19.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.78 -39.49 24.6 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.03 -38.41 79.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 9' ' ' SER . 6.5 tp -72.03 -34.79 69.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -31.55 70.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -44.48 25.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.793 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 64.0 t-105 -56.43 -48.6 76.65 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.91 -21.75 63.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -92.61 41.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.468 ' CD1' HG11 ' A' ' 84' ' ' VAL . 67.9 mt -148.01 125.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.793 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.46 0.172 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.97 165.59 26.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.83 -28.34 69.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -61.95 -44.24 97.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -62.91 -37.74 88.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.604 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.459 ' CG2' HG13 ' A' ' 7' ' ' VAL . 6.6 mt -61.2 -50.1 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.7 -43.9 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.462 ' CE2' ' OE1' ' A' ' 40' ' ' GLU . 16.7 t90 -62.55 -40.21 96.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 108.063 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.28 -52.9 63.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.239 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.414 ' CB ' HD22 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -61.99 -34.83 76.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.094 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -41.1 95.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' OE1' ' CE2' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -64.74 -34.94 79.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 95.5 mt -58.74 -49.63 76.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -39.46 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmt-85 -65.69 -32.91 74.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.447 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 37.5 t80 -75.91 -0.04 20.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 73.83 36.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 9.8 p -124.74 150.06 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.43 126.27 90.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.71 18.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.573 1.828 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.43 -9.62 61.65 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.452 ' CD1' HD13 ' A' ' 60' ' ' ILE . 25.6 mt -72.96 -33.39 65.84 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.428 ' CD1' HD22 ' A' ' 85' ' ' LEU . 13.2 tp -70.55 -19.69 62.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.42 -22.12 63.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.95 150.21 48.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.482 ' CB ' ' CG ' ' A' ' 89' ' ' HIS . 93.2 p -65.94 -30.58 71.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.059 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.26 -38.58 71.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -70.39 -43.21 62.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.577 1.173 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.2 p -66.08 -35.73 81.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -59.79 -45.96 90.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.2 -35.66 75.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.459 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 1.2 mp -69.23 -70.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.574 HD12 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -42.83 -36.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.18 -49.22 76.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.16 19.07 7.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.456 HD21 ' CD1' ' A' ' 78' ' ' LEU . 16.4 tp -110.16 -22.62 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.611 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -53.98 -44.84 98.89 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -74.99 -40.07 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 71' ' ' GLY . 15.1 m -68.2 -11.95 60.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.9 mt -71.13 -43.99 66.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.172 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -73.94 -6.93 50.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.45 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 3.2 t -120.67 -4.88 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.15 -99.12 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.468 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 22.5 p 166.24 -176.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.021 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -58.73 -41.29 86.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.46 -46.48 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.38 -34.3 72.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.457 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -61.08 -48.25 82.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 t -54.88 -37.62 66.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.456 ' CD1' HD21 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -59.03 -47.12 86.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.601 ' CD2' HD13 ' A' ' 68' ' ' LEU . 2.3 t80 -66.63 -37.65 85.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.503 ' OD1' ' CD2' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -60.56 -35.89 77.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.41 HG22 ' CH2' ' A' ' 16' ' ' TRP . 13.0 m -70.64 -44.71 66.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.427 HD12 ' CG2' ' A' ' 60' ' ' ILE . 60.5 mt -63.48 -40.25 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.591 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -57.52 -53.68 55.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.495 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 5.1 t -58.79 -43.72 88.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.565 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -57.67 -41.29 81.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 61.7 t80 -62.81 -49.95 72.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 2.4 p -61.97 -33.58 74.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.5 t -60.82 -40.77 86.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.241 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.482 ' CG ' ' CB ' ' A' ' 54' ' ' SER . 3.7 t60 -63.09 -34.2 77.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.585 1.178 . . . . 0.0 109.616 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.458 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 3.4 mm-40 -84.84 -19.42 32.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.82 40.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 2.6 mp -76.12 141.23 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.72 106.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.2 m -144.51 152.61 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -140.99 12.48 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.389 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -166.4 160.09 15.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.495 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 54.4 m -60.84 -37.54 82.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -66.4 -31.76 72.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.403 ' HB2' ' CG ' ' A' ' 96' ' ' ASP . 3.8 tp10 -63.01 -41.95 99.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -69.03 -43.03 75.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.503 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 4.4 mm? -56.19 -44.21 79.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -73.49 -39.19 65.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.23 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -67.13 -61.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.591 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 3.8 pt -55.43 -29.81 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 6.0 tt0 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.484 ' CD1' HG21 ' A' ' 151' ' ' THR . 2.1 tt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.8 164.97 37.37 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 -25.83 11.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.434 1.755 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -65.61 -37.06 85.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.484 HG21 ' CD1' ' A' ' 147' ' ' ILE . 0.4 OUTLIER -67.41 -37.28 82.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.158 . . . . 0.0 110.361 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.504 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 28.6 mt -67.76 -43.65 79.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.366 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -67.5 -40.03 85.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.63 77.49 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.558 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 56.6 t-105 -62.03 -44.51 96.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 108.079 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 24.6 t -45.41 -43.44 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -35.11 73.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 155' ' ' TRP . 71.3 t -63.43 -37.78 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.66 -46.4 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -23.77 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -45.53 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 168' ' ' VAL . 0.0 OUTLIER 176.17 69.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 162' ' ' LYS . . . -35.48 -47.03 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.43 ' O ' ' CD1' ' A' ' 164' ' ' PHE . 11.7 p90 -118.43 142.55 47.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.411 ' N ' HG22 ' A' ' 274' ' ' VAL . 0.0 OUTLIER 170.95 171.57 0.18 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -19.33 17.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -103.85 4.94 35.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 162' ' ' LYS . 10.7 t -103.3 -33.71 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 3.2 mm -52.56 -45.45 95.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 109.221 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.89 -36.0 2.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -35.49 79.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.385 1.053 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.439 ' CD2' HD13 ' A' ' 270' ' ' LEU . 2.2 t80 -64.3 -44.35 91.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.9 p -60.1 -34.0 72.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.99 89.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -11.57 59.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' SER . . . . . 0.467 ' OG ' ' CD2' ' A' ' 184' ' ' LEU . 25.7 t -108.05 13.89 25.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 110.046 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -43.55 102.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 41.84 61.6 2.22 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.565 1.165 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.8 -177.18 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.495 HG23 ' CD1' ' A' ' 247' ' ' ILE . 1.0 OUTLIER -110.99 -178.39 0.53 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.467 1.105 . . . . 0.0 110.39 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.499 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.4 Cg_endo -74.94 -37.99 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.428 ' CB ' ' HG ' ' A' ' 243' ' ' LEU . 0.6 OUTLIER -69.82 -31.09 68.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 183' ' ' ASP . 2.3 t0 -79.9 -49.17 12.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.467 ' CD2' ' OG ' ' A' ' 176' ' ' SER . 47.2 mt -63.3 -37.45 87.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . 0.401 ' OD1' ' OH ' ' A' ' 262' ' ' TYR . 54.1 m-20 -63.62 -37.06 85.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.475 ' CG2' ' CD1' ' A' ' 152' ' ' LEU . 0.9 OUTLIER -60.74 -43.55 97.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.44 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.558 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -70.02 -45.24 67.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.04 -22.65 67.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -74.98 -45.34 42.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 4.8 t -76.91 -9.84 58.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.392 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.427 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.5 OUTLIER -52.63 -175.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -170.15 56.45 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -108.29 28.18 12.39 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 79.29 147.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.779 . . . . 0.0 109.661 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -68.96 -38.11 79.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.17 -49.28 76.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.8 76.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.427 ' CE ' HG11 ' A' ' 191' ' ' VAL . 2.2 mmt -57.96 -33.44 68.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -61.82 -54.5 41.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 44.7 mtm -58.95 -46.34 88.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.468 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 2.6 tp -60.21 -34.36 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -68.38 -41.3 80.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -41.08 88.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.92 -47.99 67.22 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.477 HD11 ' CG1' ' A' ' 266' ' ' ILE . 15.4 mt -61.02 -53.58 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -58.54 -40.84 84.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.251 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.15 -29.54 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -65.03 -34.14 77.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.534 ' HB3' ' CH2' ' A' ' 265' ' ' TRP . . . -71.49 -50.19 33.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.09 80.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.208 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.72 80.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.09 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . 0.56 ' CZ3' HD11 ' A' ' 215' ' ' LEU . 59.7 t-105 -57.69 -53.23 60.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -56.16 -33.29 65.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -41.23 91.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . 0.56 HD11 ' CZ3' ' A' ' 212' ' ' TRP . 3.3 pp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . 0.574 ' HD2' ' CZ2' ' A' ' 249' ' ' TRP . 18.5 Cg_endo -74.92 -173.69 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 235' ' ' ASP . 1.9 ptp180 -118.25 174.55 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.229 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . . . . . . . . . . . -55.09 -35.18 59.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 234' ' ' SER . . . . . 0.434 ' O ' ' CG2' ' A' ' 239' ' ' THR . 0.4 OUTLIER -59.97 -36.25 76.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 109.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . 0.428 ' OD1' ' CG ' ' A' ' 232' ' ' ARG . 1.8 m-20 -67.55 -36.04 80.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.457 HD13 ' CG2' ' A' ' 261' ' ' ILE . 36.0 mt -60.56 -31.38 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -79.6 -22.27 43.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.22 20.78 29.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 239' ' ' THR . . . . . 0.434 ' CG2' ' O ' ' A' ' 234' ' ' SER . 9.0 t -89.74 -29.76 18.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 240' ' ' THR . . . . . 0.424 ' N ' HG23 ' A' ' 239' ' ' THR . 25.7 p -116.7 -0.8 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 7.2 p -144.93 153.84 41.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.99 167.27 12.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.589 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 2.3 tm? -55.98 -48.3 76.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.227 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.14 -47.23 45.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.82 -35.28 77.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . 0.467 ' HG3' ' CG ' ' A' ' 181' ' ' PRO . 24.3 mm100 -64.21 -58.65 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.589 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 0.9 OUTLIER -58.75 -39.2 76.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.62 57.72 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . 0.574 ' CZ2' ' HD2' ' A' ' 231' ' ' PRO . 0.0 OUTLIER -65.67 -31.57 72.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 2.8 mtm -68.54 -22.78 64.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.9 p -118.09 21.97 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.1 OUTLIER -81.54 173.39 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -121.92 111.35 32.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 159.25 98.24 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.018 0.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -74.93 119.95 5.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . 0.574 HG23 ' CZ3' ' A' ' 249' ' ' TRP . 6.0 mt -95.44 128.57 37.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.45 4.26 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.559 1.821 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -44.78 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.21 -34.49 88.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -32.36 71.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 0.741 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . 0.457 ' CG2' HD13 ' A' ' 236' ' ' ILE . 10.5 mt -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . 0.499 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 12.3 t80 -65.67 -37.96 87.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -60.97 -45.59 94.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 263' ' ' LYS . 2.4 ttt180 -64.44 -31.53 72.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 110.226 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.534 ' CH2' ' HB3' ' A' ' 209' ' ' ALA . 46.5 m0 -61.94 -47.48 84.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.019 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.477 ' CG1' HD11 ' A' ' 205' ' ' ILE . 81.6 mt -57.38 -44.78 84.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -35.45 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -54.35 48.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.468 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.36 -60.27 8.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.452 ' CB ' HD12 ' A' ' 169' ' ' ILE . 13.2 mt -45.21 -32.35 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -46.85 84.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 269' ' ' GLY . 16.4 tttt -69.09 -37.58 78.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 201' ' ' LEU . 52.5 mt -62.97 -40.98 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 165' ' ' SER . 22.2 t -71.83 -44.98 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -58.85 -16.36 16.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.75 -37.84 11.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.182 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.47 17.73 15.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.03 150.15 92.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.444 1.76 . . . . 0.0 110.982 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.468 ' CG1' HG21 ' A' ' 34' ' ' ILE . 3.0 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.596 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -98.2 152.21 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.93 179.65 7.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.007 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.33 -57.91 17.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.564 1.165 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.71 -41.02 25.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.24 -38.93 81.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 0.807 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 9' ' ' SER . 5.3 tp -67.41 -42.82 82.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.55 -32.13 62.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -45.63 41.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.605 ' CE3' ' CD1' ' A' ' 85' ' ' LEU . 68.4 t-105 -57.14 -48.19 79.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.019 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.8 -25.38 67.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -87.62 47.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.394 1.059 . . . . 0.0 109.366 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.9 mm -131.23 141.19 46.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.507 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.514 0.197 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.0 169.56 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -28.29 68.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -46.15 91.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -62.93 -35.71 80.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.637 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.468 HG21 ' CG1' ' A' ' 7' ' ' VAL . 3.5 mt -62.71 -49.46 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.93 -44.28 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.386 1.054 . . . . 0.0 109.332 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.403 ' CZ3' ' HB2' ' A' ' 78' ' ' LEU . 87.2 t90 -62.59 -40.04 95.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.93 -53.11 62.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -34.87 74.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -41.06 94.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.52 -34.86 79.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 47.0 mt -58.74 -49.46 77.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -56.93 -41.59 78.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -58.47 -38.15 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -75.98 -7.12 53.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 73.24 48.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 10.5 p -124.97 150.08 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -64.11 131.1 94.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.86 18.34 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.93 -12.17 56.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.5 mt -72.64 -40.69 66.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.757 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 tp -68.57 -9.97 52.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.21 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.38 -22.06 32.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -125.71 152.01 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.455 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.503 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 33.8 t -66.46 -30.94 71.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.24 -49.9 67.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -69.94 -36.07 72.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.63 -42.59 98.15 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.549 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 1.4 ttp180 -59.98 -37.49 79.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.25 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -38.51 88.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 1.4 mp -63.28 -65.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 79' ' ' TYR . 9.8 tp -51.7 -27.49 11.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.01 -48.58 25.89 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -90.8 16.22 9.72 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 0.79 . . . . 0.0 110.224 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.475 HD23 ' CD2' ' A' ' 79' ' ' TYR . 20.6 tp -111.95 -25.29 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.6 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.4 tm0? -52.85 -45.41 97.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.7 Cg_endo -74.95 -39.87 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 71' ' ' GLY . 67.3 m -68.48 -12.14 60.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.594 HD11 ' CD2' ' A' ' 79' ' ' TYR . 7.2 mt -71.21 -43.92 66.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.31 -6.67 49.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.37 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.46 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.54 -4.59 9.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -82.08 -99.86 0.44 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 14.4 p 167.84 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -41.41 87.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -71.58 -46.38 59.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.3 -34.21 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.465 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 45.0 ttm180 -61.68 -47.81 83.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -36.38 65.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.946 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -60.31 -47.31 86.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.594 ' CD2' HD11 ' A' ' 68' ' ' LEU . 2.5 t80 -64.52 -42.15 95.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.524 ' OD1' ' CD2' ' A' ' 101' ' ' LEU . 1.1 t-20 -54.99 -33.19 62.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.6 m -70.36 -48.28 57.07 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.607 1.192 . . . . 0.0 110.405 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.435 ' CD1' HD23 ' A' ' 78' ' ' LEU . 5.5 mt -63.27 -32.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.482 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -59.63 -56.14 25.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.492 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.9 t -57.81 -42.22 81.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.605 ' CD1' ' CE3' ' A' ' 16' ' ' TRP . 1.8 tp -56.7 -46.51 81.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.549 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 49.0 t80 -59.75 -33.9 72.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.485 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -72.67 -35.77 67.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 108.257 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.9 t -65.35 -32.95 60.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.503 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 17.7 m-70 -69.14 -38.99 79.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.494 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 0.3 OUTLIER -84.88 -20.09 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' CYS . 25.6 ttt180 71.47 47.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.494 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.7 mp -86.25 141.74 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -62.22 105.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.485 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 31.1 m -134.38 173.01 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.46 -48.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.81 171.2 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.492 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 55.6 m -59.65 -46.83 87.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 110.388 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -31.16 69.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -68.41 -36.26 78.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.48 ' O ' ' CG2' ' A' ' 104' ' ' ILE . . . -69.4 -47.22 64.86 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.524 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 1.2 mm? -55.71 -37.69 68.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.9 -47.67 36.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -57.79 8.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.482 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 2.1 pt -54.88 -30.49 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.477 HD12 ' CG2' ' A' ' 151' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.05 160.22 52.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -23.05 14.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.5 -37.31 86.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.477 ' CG2' HD12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -67.18 -36.77 82.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.493 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 26.9 mt -65.61 -42.83 91.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -43.68 80.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.18 77.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -62.27 -46.92 86.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 40.7 t -48.28 -43.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -61.51 -36.94 81.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 1.106 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.83 -37.64 73.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 15.9 t -68.92 -34.52 64.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.09 -40.0 60.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.42 -76.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 3.0 mmpt? -69.23 -70.9 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.34 -48.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 277' ' ' TYR . 23.6 p90 -162.29 126.68 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.27 170.1 0.86 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.026 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -18.95 18.48 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.561 1.821 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.89 1.54 55.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.417 ' N ' ' HD2' ' A' ' 170' ' ' PRO . 0.3 OUTLIER -104.98 -33.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.2 mm -55.76 -44.52 99.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.01 -35.82 2.9 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.42 1.747 . . . . 0.0 111.083 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.27 -39.67 93.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.52 ' CE2' ' HE2' ' A' ' 187' ' ' MET . 39.8 t80 -66.37 -29.75 69.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.6 p -73.18 -27.08 61.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.56 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.467 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -76.64 -30.39 56.82 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 59.5 p -97.42 13.94 28.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.939 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -41.96 104.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.218 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.23 73.24 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -104.13 -174.39 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 0.798 . . . . 0.0 109.251 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.553 ' HB ' ' HD2' ' A' ' 181' ' ' PRO . 1.9 p -103.73 -179.18 0.73 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 110.438 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.553 ' HD2' ' HB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -38.83 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.58 -36.65 76.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . 0.425 ' C ' ' OD1' ' A' ' 183' ' ' ASP . 3.9 t0 -76.7 -48.67 18.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.229 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.567 HD12 ' CD2' ' A' ' 262' ' ' TYR . 32.4 mt -59.61 -47.72 84.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -55.46 -36.23 66.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.467 HG22 ' CD2' ' A' ' 152' ' ' LEU . 0.9 OUTLIER -64.64 -46.89 80.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.434 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.52 ' HE2' ' CE2' ' A' ' 172' ' ' PHE . 1.7 ttp -63.36 -45.38 91.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 111.027 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.46 HD22 ' CE ' ' A' ' 198' ' ' MET . 13.1 mt -71.11 -18.94 62.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.03 -45.55 33.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.487 ' OG1' ' CG2' ' A' ' 156' ' ' VAL . 13.1 t -71.03 -17.48 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.427 HG12 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -51.12 -179.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 171.15 59.6 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.549 1.156 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -97.21 -52.77 1.43 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.13 130.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 0.785 . . . . 0.0 109.625 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -57.49 -39.72 77.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.97 -49.43 75.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . 0.412 ' HB3' ' CG2' ' A' ' 273' ' ' ILE . . . -59.44 -49.39 77.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.46 ' CE ' HD22 ' A' ' 188' ' ' LEU . 3.7 mmt -58.05 -33.26 68.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -54.44 41.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.231 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -43.85 98.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.478 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 2.9 tp -57.61 -37.15 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -68.16 -36.84 80.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.93 -46.46 74.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.54 -48.97 70.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.476 HD12 ' CG1' ' A' ' 266' ' ' ILE . 14.0 mt -58.86 -53.46 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -58.12 -39.01 77.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.22 -29.8 70.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . 0.425 ' HB3' ' CE2' ' A' ' 265' ' ' TRP . 0.0 OUTLIER -66.79 -36.9 83.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.428 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -70.69 -49.76 43.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.92 75.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -34.42 76.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -60.48 -64.86 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -56.16 -33.17 64.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -40.05 88.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.236 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . 0.584 ' HD2' ' CH2' ' A' ' 249' ' ' TRP . 18.3 Cg_endo -74.92 -168.6 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -108.44 176.91 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . 0.428 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -59.87 -37.29 92.34 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 13.6 m -60.11 -29.53 68.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.944 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.3 OUTLIER -74.44 -35.97 63.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.408 HD13 ' CH2' ' A' ' 265' ' ' TRP . 32.3 mt -60.62 -29.61 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.29 62.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 84.29 23.0 53.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.45 -38.26 13.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 110.41 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 14.5 m -104.06 -0.54 28.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.408 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 241' ' ' SER . . . . . 0.407 ' CB ' ' OD1' ' A' ' 235' ' ' ASP . 2.6 t -135.95 138.35 42.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.6 OUTLIER -74.33 174.88 8.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.363 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.474 HD21 ' CB ' ' A' ' 180' ' ' THR . 2.9 tm? -66.27 -59.9 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -49.36 -24.36 1.88 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -49.59 43.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . 0.42 ' NE2' ' HG3' ' A' ' 181' ' ' PRO . 24.9 mt-30 -69.5 -41.65 75.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.473 HG13 ' CD1' ' A' ' 243' ' ' LEU . 47.5 mm -51.02 -58.54 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . 0.42 ' O ' ' CD2' ' A' ' 252' ' ' HIS . . . -60.19 -44.41 97.43 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . 0.584 ' CH2' ' HD2' ' A' ' 231' ' ' PRO . 0.3 OUTLIER -56.0 -31.48 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 7.9 ttm -70.05 -38.86 75.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 14.3 t -105.3 22.38 15.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.367 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.6 OUTLIER -85.0 171.8 11.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.459 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 66.6 m-80 -121.94 111.2 32.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . 0.459 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.1 Cg_endo -75.05 159.21 98.29 Favored 'Cis proline' 0 C--N 1.359 1.082 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.944 0.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . 0.573 HG23 ' CE3' ' A' ' 249' ' ' TRP . 1.5 mt -95.17 116.37 66.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 54.96 3.83 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.448 1.762 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.76 -40.36 60.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.27 -40.49 98.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.15 -32.35 70.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 110.336 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . 0.549 ' O ' ' CD1' ' A' ' 265' ' ' TRP . 73.0 mt -64.71 -46.6 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . 0.567 ' CD2' HD12 ' A' ' 184' ' ' LEU . 6.4 t80 -74.77 -39.09 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -45.6 93.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -62.6 -33.07 74.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 261' ' ' ILE . 51.3 m0 -61.97 -47.87 82.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.476 ' CG1' HD12 ' A' ' 205' ' ' ILE . 77.6 mt -57.77 -45.08 87.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.96 -35.61 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -54.85 42.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.478 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.14 -59.35 9.65 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.56 ' CB ' ' CD1' ' A' ' 169' ' ' ILE . 13.6 mt -44.35 -33.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -63.78 -46.47 85.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 269' ' ' GLY . 4.2 tttt -67.9 -37.5 81.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . 0.412 ' CG2' ' HB3' ' A' ' 197' ' ' ALA . 49.8 mt -62.9 -43.02 98.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.99 -46.0 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -58.59 -16.47 15.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 4.2 ttt -93.62 -37.8 11.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 0.554 ' HB3' ' CD1' ' A' ' 164' ' ' PHE . 0.2 OUTLIER -96.77 18.08 15.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 153.13 92.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.428 1.751 . . . . 0.0 111.025 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.47 ' CG1' HG21 ' A' ' 34' ' ' ILE . 37.0 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.603 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -103.66 155.15 18.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.86 179.95 7.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 0.0 109.975 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.59 -58.03 16.73 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.93 -40.67 20.59 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.78 -39.9 82.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 0.796 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.51 ' CB ' ' O ' ' A' ' 9' ' ' SER . 4.0 tp -67.7 -44.18 78.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -55.86 -37.08 68.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.43 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -70.31 -45.42 66.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.633 ' CE3' ' CD1' ' A' ' 85' ' ' LEU . 39.1 t-105 -56.29 -53.25 59.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.02 -15.78 57.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.54 10.83 14.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 2.4 mm -95.03 144.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.571 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.501 0.191 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -143.02 172.39 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.41 -27.82 68.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -45.71 92.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -36.01 82.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.6 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.47 HG21 ' CG1' ' A' ' 7' ' ' VAL . 4.3 mt -63.66 -50.17 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.92 -43.35 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -62.82 -40.61 97.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 107.981 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.4 -52.56 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.365 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -34.83 76.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -60.91 -41.04 95.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.326 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -64.63 -36.77 85.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 85.5 mt -59.21 -47.48 85.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -57.1 -39.57 75.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -58.15 -38.73 77.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -76.34 -2.81 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 70.72 47.0 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.571 1.169 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 7.4 p -124.79 150.03 29.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -64.44 134.38 95.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -18.76 18.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.436 1.756 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.51 -12.36 55.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.0 mt -72.9 -32.86 65.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 10.5 tp -77.87 -16.01 58.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.47 -22.19 54.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.3 p -125.87 152.59 45.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.486 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 1.9 t -67.19 -30.48 70.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.9 -49.81 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.92 -35.06 91.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.7 m -63.89 -41.05 97.8 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.0 ttp85 -59.91 -37.8 80.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -65.69 -37.58 86.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.441 ' CG2' HD13 ' A' ' 82' ' ' ILE . 1.5 mp -75.03 -75.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 79' ' ' TYR . 11.5 tp -41.67 -34.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.58 -49.32 74.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.8 OUTLIER -97.6 23.14 8.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 78' ' ' LEU . 15.0 tp -111.13 -25.68 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.604 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.8 tm0? -53.11 -45.13 98.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.9 -40.3 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 71' ' ' GLY . 19.3 m -68.58 -11.7 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.601 HD12 ' CD2' ' A' ' 79' ' ' TYR . 6.7 mt -71.2 -43.71 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -73.72 -7.19 51.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.431 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 3.4 t -120.84 -4.93 9.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -80.63 -98.72 0.34 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 0.0 111.066 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.475 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 23.9 p 165.85 -176.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -41.36 88.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 12.4 pt-20 -71.33 -46.05 61.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.436 ' CD2' HD21 ' A' ' 68' ' ' LEU . 6.7 tt -59.98 -34.33 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.445 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 75.1 ttt180 -61.01 -48.96 79.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.223 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -37.25 65.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.054 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.459 ' CD1' HD22 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -59.77 -47.21 86.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.601 ' CD2' HD12 ' A' ' 68' ' ' LEU . 1.9 t80 -65.8 -37.63 86.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.502 ' OD1' ' CG2' ' A' ' 97' ' ' THR . 0.2 OUTLIER -62.94 -32.03 73.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 m -70.18 -48.17 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.435 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.441 HD13 ' CG2' ' A' ' 60' ' ' ILE . 62.9 mt -64.06 -40.55 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.538 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -53.05 -56.59 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.9 t -58.26 -42.24 83.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.633 ' CD1' ' CE3' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -56.86 -36.69 70.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -59.69 -50.49 73.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.94 -37.02 85.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.3 t -63.66 -38.2 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' A' ' 54' ' ' SER . 4.3 m-70 -58.03 -40.23 80.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.485 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -91.54 -7.45 50.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 65.31 40.87 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.485 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.5 mp -75.88 141.24 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.96 91.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.239 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.3 m -110.89 173.41 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 -77.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.33 170.95 7.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.502 ' CG2' ' OD1' ' A' ' 80' ' ' ASN . 22.0 m -60.89 -43.05 99.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.371 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -31.69 72.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.13 -31.61 71.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -70.99 -40.94 71.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 1.9 mp -56.7 -48.0 78.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -72.18 -40.25 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -64.72 -62.48 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.538 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.6 pt -55.97 -28.05 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 151' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.04 159.98 53.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.952 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.01 14.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -65.83 -37.33 85.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.476 HG23 ' CD1' ' A' ' 147' ' ' ILE . 0.6 OUTLIER -69.07 -32.54 72.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.495 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 24.1 mt -63.7 -42.69 97.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -68.07 -44.5 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.38 -49.01 77.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.492 ' CE2' ' CG2' ' A' ' 159' ' ' VAL . 26.4 t-105 -62.15 -47.86 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 36.1 t -45.62 -43.42 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.44 -36.73 83.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.45 ' CG1' ' HE3' ' A' ' 171' ' ' MET . 93.1 t -63.37 -44.83 99.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.492 ' CG2' ' CE2' ' A' ' 155' ' ' TRP . 92.3 t -58.71 -46.35 90.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -30.61 71.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.72 -56.16 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -164.4 66.27 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 162' ' ' LYS . . . -38.69 -49.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.56 ' CD1' HG21 ' A' ' 273' ' ' ILE . 1.7 m-85 -110.25 121.83 46.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.98 168.78 0.25 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.12 18.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.604 1.844 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.77 1.75 53.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 162' ' ' LYS . 0.3 OUTLIER -103.67 -33.9 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 18.5 mm -56.97 -44.49 99.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.0 Cg_endo -75.1 -35.96 2.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.586 1.835 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.45 ' HE3' ' CG1' ' A' ' 158' ' ' VAL . 1.6 mmm -62.2 -40.89 97.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.564 ' CZ ' HG23 ' A' ' 266' ' ' ILE . 6.8 t80 -69.11 -44.4 72.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.8 p -58.9 -37.56 76.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.64 91.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.432 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -74.21 -13.63 60.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' SER . . . . . 0.441 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 5.3 p -104.86 14.01 30.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.071 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.23 108.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 39.33 65.83 0.79 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.74 -178.03 3.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.553 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.5 OUTLIER -115.25 -174.44 0.27 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.082 . . . . 0.0 110.393 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -41.63 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -34.22 73.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.25 -45.12 27.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 176' ' ' SER . 19.9 mt -63.84 -40.58 96.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.02 -35.67 77.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.456 HG22 ' CD2' ' A' ' 152' ' ' LEU . 0.8 OUTLIER -60.86 -46.79 89.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.481 ' HE1' ' CD2' ' A' ' 155' ' ' TRP . 1.6 ttt -70.21 -40.89 74.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.5 mp -71.39 -12.82 61.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -84.73 -48.92 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.441 ' CG2' HD21 ' A' ' 152' ' ' LEU . 4.2 t -81.19 -0.89 42.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.384 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.472 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.9 OUTLIER -59.71 -176.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -159.21 53.22 0.37 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 197' ' ' ALA . . . -107.54 27.47 15.13 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 74.29 149.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 0.813 . . . . 0.0 109.626 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -37.99 73.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.216 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.42 76.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 193' ' ' GLY . . . -59.18 -48.91 79.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.472 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.89 -37.83 74.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -54.5 31.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -58.67 -29.43 66.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 273' ' ' ILE . 0.9 OUTLIER -67.0 -34.34 77.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 3.6 tptm -68.92 -31.22 69.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.23 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 0.4 OUTLIER -67.22 -46.77 72.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -48.7 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 17.3 mt -58.73 -55.03 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 36.8 t-20 -57.87 -40.0 79.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 5.5 mm-40 -65.65 -29.46 70.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 265' ' ' TRP . 0.4 OUTLIER -67.94 -29.35 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.455 ' CA ' ' HA3' ' A' ' 233' ' ' GLY . . . -73.2 -50.21 23.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.16 81.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -65.23 -40.71 94.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . 0.491 ' CB ' ' O ' ' A' ' 208' ' ' GLU . 43.6 t-105 -57.66 -59.93 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 108.025 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.1 -33.07 64.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -59.16 -35.33 73.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 110.293 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 71.97 4.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.41 176.77 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . 0.455 ' HA3' ' CA ' ' A' ' 209' ' ' ALA . . . -77.38 -38.87 27.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.558 1.162 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 6.3 m -68.3 -47.38 67.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 110.054 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -42.34 93.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.568 HG22 ' CZ3' ' A' ' 265' ' ' TRP . 27.2 mt -60.62 -27.79 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.9 -21.83 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.38 20.12 30.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 14.6 t -90.13 -37.67 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.423 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 20.5 m -101.75 -0.96 33.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.571 1.17 . . . . 0.0 110.384 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 4.7 t -145.68 152.54 39.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.043 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.548 ' CG2' ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -91.37 175.98 6.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.402 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.587 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 3.1 tm? -58.44 -59.13 5.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.57 -50.12 43.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -31.58 71.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . 0.452 ' HG3' ' CG1' ' A' ' 258' ' ' VAL . 1.9 tp60 -69.56 -70.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.587 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 0.8 OUTLIER -40.54 -38.66 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.67 -51.42 58.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . 0.584 ' CZ3' ' CE1' ' A' ' 252' ' ' HIS . 0.7 OUTLIER -61.33 -37.7 84.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 11.3 mtm -61.06 -23.38 65.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.7 p -118.14 22.32 12.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.584 ' CE1' ' CZ3' ' A' ' 249' ' ' TRP . 0.1 OUTLIER -81.41 172.79 13.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.569 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 1.8 m-20 -122.41 111.01 31.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -75.07 159.15 98.36 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.97 -2.512 . . . . 0.0 111.0 0.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -74.93 119.83 5.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.79 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 7.8 mt -88.94 134.28 33.82 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 57.93 4.71 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.476 ' CG2' HG12 ' A' ' 236' ' ' ILE . 2.6 t -62.41 -65.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.06 -33.67 84.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -69.34 -32.33 71.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . 0.688 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 10.1 mt -75.32 -45.32 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . 0.546 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.1 t80 -64.19 -47.37 80.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.49 -38.76 72.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 2.5 mtt180 -66.29 -33.17 75.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.688 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 52.0 m0 -61.92 -45.06 95.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.06 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.564 HG23 ' CZ ' ' A' ' 172' ' ' PHE . 87.6 mt -57.16 -46.65 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -28.75 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -57.04 13.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.15 -56.87 19.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.432 1.083 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.415 ' CD1' ' CG2' ' A' ' 266' ' ' ILE . 12.1 mt -45.08 -36.62 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -63.03 -42.1 99.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.5 OUTLIER -67.48 -38.9 85.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . 0.56 HG21 ' CD1' ' A' ' 164' ' ' PHE . 34.2 mt -60.67 -45.77 96.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.71 -46.03 95.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -59.73 -16.4 27.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 7.7 tpt -97.48 -37.89 9.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.05 17.29 12.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.054 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.01 150.11 92.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.459 HG13 ' CG2' ' A' ' 34' ' ' ILE . 22.9 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.617 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.6 mt -103.66 152.11 22.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.16 179.51 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.28 -58.41 14.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.33 -41.14 26.64 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.95 -40.11 83.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 0.712 . . . . 0.0 110.323 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 9' ' ' SER . 5.2 tp -66.02 -44.12 85.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.07 -33.06 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.95 -45.42 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.617 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 33.5 t-105 -56.53 -51.84 67.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -26.59 62.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.42 47.27 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.543 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.9 mm -130.91 134.53 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.537 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.508 0.194 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.32 173.31 11.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -61.77 -26.99 68.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -61.72 -44.08 97.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -35.82 82.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.626 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.459 ' CG2' HG13 ' A' ' 7' ' ' VAL . 4.6 mt -63.6 -50.1 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.7 -43.98 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -62.77 -39.88 95.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 107.972 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.456 ' CB ' HG21 ' A' ' 81' ' ' THR . . . -59.12 -53.03 63.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -62.46 -34.89 77.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.928 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -41.2 94.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.07 -34.92 79.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 46.8 mt -58.02 -50.01 74.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.22 -41.41 79.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.425 1.078 . . . . 0.0 110.338 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -58.22 -37.57 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -75.99 0.15 19.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 69.82 44.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 6.7 p -124.97 150.01 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -64.39 129.78 94.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.73 18.47 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.14 -10.06 58.56 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 26.4 mt -72.9 -38.58 66.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 9.2 tp -69.12 -8.93 49.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.43 -21.79 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -125.66 156.44 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.396 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.0 p -70.03 -29.9 67.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -36.74 72.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.454 ' CA ' ' HB3' ' A' ' 50' ' ' LEU . . . -71.81 -43.43 50.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.586 1.179 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.2 p -67.81 -36.16 79.9 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -60.04 -37.55 80.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -69.94 -30.15 67.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.461 ' CG2' HD11 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -74.6 -75.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.554 HD12 ' CD2' ' A' ' 79' ' ' TYR . 10.5 tp -44.21 -36.2 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.31 -49.19 81.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -97.3 21.1 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 110.224 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.448 HD21 ' CD2' ' A' ' 79' ' ' TYR . 13.5 tp -106.63 -25.63 11.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.609 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 7.7 tm0? -53.25 -45.03 98.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.01 -40.6 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -68.43 -11.8 60.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.022 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.59 HD11 ' CD2' ' A' ' 79' ' ' TYR . 6.2 mt -70.86 -44.1 67.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -7.33 52.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.448 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.8 t -119.82 -5.64 10.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -80.71 -98.22 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 24.6 p 167.01 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.746 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -61.06 -40.74 94.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 110.235 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -46.93 59.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.44 ' CD2' HD23 ' A' ' 68' ' ' LEU . 8.1 tt -60.72 -34.49 74.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.469 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.22 -43.85 98.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.174 . . . . 0.0 110.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.43 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 7.4 t -61.54 -30.51 70.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.048 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -66.37 -45.93 78.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.59 ' CD2' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -60.54 -42.3 96.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.529 ' C ' ' ND2' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -57.69 -36.7 72.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.456 HG21 ' CB ' ' A' ' 37' ' ' ALA . 80.8 m -62.96 -48.38 79.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.461 HD11 ' CG2' ' A' ' 60' ' ' ILE . 7.4 mt -66.36 -36.33 77.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.549 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -56.6 -59.95 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.494 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.9 t -58.11 -41.52 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.571 HD11 ' CZ3' ' A' ' 16' ' ' TRP . 1.5 mp -56.82 -34.98 68.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 21.8 t80 -62.48 -47.12 85.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -37.34 85.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.4 t -64.28 -41.66 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -55.79 -40.22 72.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.636 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.456 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 1.6 mm-40 -86.8 -18.33 31.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.402 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.3 OUTLIER 78.08 37.42 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 2.4 mp -75.83 141.23 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.95 95.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.426 ' CG2' HD11 ' A' ' 19' ' ' ILE . 7.6 m -110.94 173.65 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -147.01 -51.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.23 170.38 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.494 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.3 m -60.39 -45.15 94.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -31.59 69.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.55 -40.59 93.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.48 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -69.94 -38.53 76.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 1.4 mp -56.68 -46.75 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.5 -41.77 65.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.604 1.19 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -63.32 -62.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.549 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.6 pt -56.22 -28.95 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.603 HG12 ' CG2' ' A' ' 151' ' ' THR . 1.3 tt . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.04 167.13 22.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.14 9.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -37.2 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.603 ' CG2' HG12 ' A' ' 147' ' ' ILE . 1.5 t -67.14 -32.35 73.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.45 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 29.1 mt -69.44 -43.48 73.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -67.74 -43.9 78.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.14 -48.91 79.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.528 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 51.7 t-105 -61.99 -45.63 92.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 24.3 t -47.25 -43.55 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -68.28 -35.95 78.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.56 -39.87 86.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 192' ' ' GLY . 93.4 t -59.87 -46.42 93.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -58.36 -33.55 69.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.253 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.78 -44.4 77.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 163' ' ' ALA . 2.7 mttp 172.42 73.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 162' ' ' LYS . . . -37.69 -49.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.419 ' O ' ' CD1' ' A' ' 164' ' ' PHE . 11.5 p90 -107.61 127.99 54.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.529 ' N ' ' CG1' ' A' ' 168' ' ' VAL . 0.0 OUTLIER 170.41 166.38 0.2 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -17.73 19.49 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.416 ' C ' ' HD2' ' A' ' 170' ' ' PRO . 73.8 mt-10 -92.06 -17.66 24.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 165' ' ' SER . 13.8 p -97.09 -34.22 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.571 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 0.8 OUTLIER -48.35 -48.45 66.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.02 -35.15 3.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.463 ' CE ' HD12 ' A' ' 175' ' ' LEU . 0.1 OUTLIER -61.97 -31.85 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.481 ' CZ ' HG22 ' A' ' 266' ' ' ILE . 5.7 t80 -72.36 -44.41 62.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -31.53 65.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.48 -45.27 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.488 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -72.14 -9.92 59.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 12.5 t -111.4 14.01 21.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.71 122.02 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.65 56.6 1.62 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.476 ' CB ' ' OD2' ' A' ' 183' ' ' ASP . . . -103.67 -175.6 2.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.492 HG22 ' CD1' ' A' ' 247' ' ' ILE . 0.7 OUTLIER -113.69 178.39 0.98 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 110.401 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.0 Cg_endo -75.06 -37.75 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -70.45 -58.47 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . 0.488 ' OD1' ' CD1' ' A' ' 147' ' ' ILE . 0.0 OUTLIER -48.83 -46.2 41.65 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 1.182 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 55.1 mt -60.48 -43.42 96.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.222 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -33.04 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.467 ' CG2' HG23 ' A' ' 147' ' ' ILE . 0.4 OUTLIER -66.7 -47.85 71.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.458 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.528 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -62.3 -45.24 94.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.468 HD23 ' CE ' ' A' ' 198' ' ' MET . 13.8 mt -64.49 -22.01 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -75.73 -47.5 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 15.3 t -78.13 -1.01 30.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.444 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.471 HG13 ' CE ' ' A' ' 198' ' ' MET . 0.5 OUTLIER -59.96 -176.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.267 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.417 ' N ' HG12 ' A' ' 159' ' ' VAL . . . -170.76 55.85 0.19 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -108.46 27.89 12.81 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.431 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 2.0 t-160 83.77 132.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.596 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -59.13 -37.99 78.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.7 -49.17 75.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.395 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.0 75.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.471 ' CE ' HG13 ' A' ' 191' ' ' VAL . 0.1 OUTLIER -57.96 -33.33 68.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.6 -54.41 43.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 70.4 mtm -59.74 -46.48 89.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.469 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 2.2 tp -59.78 -37.01 77.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -67.36 -38.34 84.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.75 -45.6 78.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.219 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.24 -47.21 77.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.465 HD12 ' CG1' ' A' ' 266' ' ' ILE . 14.9 mt -59.92 -52.94 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -58.27 -41.07 83.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.64 -29.61 70.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . 0.541 ' HG2' ' CD1' ' A' ' 265' ' ' TRP . 0.8 OUTLIER -62.47 -44.81 95.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.563 ' HB3' ' CH2' ' A' ' 265' ' ' TRP . . . -62.73 -49.83 73.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.59 -47.92 75.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -40.19 94.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . 0.57 ' CZ3' HD11 ' A' ' 215' ' ' LEU . 42.9 t-105 -58.94 -59.41 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 108.06 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -56.32 -33.36 65.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -59.69 -41.91 91.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . 0.57 HD11 ' CZ3' ' A' ' 212' ' ' TRP . 2.7 pp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . 0.469 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.0 Cg_endo -75.04 147.2 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.769 . . . . 0.0 110.968 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.14 -178.71 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . 0.409 ' HA3' ' CA ' ' A' ' 209' ' ' ALA . . . -56.63 -38.46 81.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -39.11 84.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.5 OUTLIER -65.3 -36.17 83.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 258' ' ' VAL . 19.5 mt -60.48 -30.72 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.95 -22.94 62.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.44 21.49 26.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 5.7 t -83.97 -38.35 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 110.489 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 37.7 m -105.92 -2.25 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 21.6 t -136.98 136.23 38.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 243' ' ' LEU . 1.6 t -80.67 -177.77 6.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.59 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 3.3 tm? -67.07 -59.69 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.61 -45.58 27.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.67 -37.12 82.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -69.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.59 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 1.0 OUTLIER -46.59 -39.43 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -59.99 -51.75 57.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.52 -31.35 72.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -24.16 65.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 8.6 t -118.16 22.21 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.457 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.434 ' O ' ' CA ' ' A' ' 255' ' ' PRO . 0.3 OUTLIER -99.43 172.39 7.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 109.574 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 1.4 m120 -119.77 115.26 33.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.96 157.87 99.34 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.026 -0.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.434 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.11 123.89 8.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.575 1.829 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 3.6 mt -100.25 108.57 53.15 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.81 4.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.558 1.82 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.466 ' CG2' HG12 ' A' ' 236' ' ' ILE . 0.5 OUTLIER -61.54 -39.38 82.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.11 86.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -32.09 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . . . . . . . . . 17.0 mt -63.3 -45.66 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . 0.42 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 36.2 t80 -64.18 -37.39 87.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . 0.406 ' HE2' ' N ' ' A' ' 264' ' ' ARG . 1.3 ttpt -56.53 -45.5 81.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.406 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 29.6 ttt180 -62.5 -34.32 76.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.563 ' CH2' ' HB3' ' A' ' 209' ' ' ALA . 49.2 m0 -62.09 -47.86 82.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.481 HG22 ' CZ ' ' A' ' 172' ' ' PHE . 63.4 mt -57.35 -45.8 85.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -34.2 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -54.56 45.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.15 -59.31 9.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.44 1.087 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.477 ' CB ' HD12 ' A' ' 169' ' ' ILE . 11.6 mt -44.62 -33.14 1.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -63.62 -45.78 88.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 269' ' ' GLY . 3.3 mmtt -69.09 -37.32 78.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 201' ' ' LEU . 41.5 mt -64.64 -40.88 90.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.24 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 270' ' ' LEU . 57.1 t -73.55 -37.54 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 -72.71 -16.33 61.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -91.86 -37.95 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 277' ' ' TYR . 5.6 t80 -91.98 2.99 56.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 1.4 p -79.08 150.17 74.26 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.424 HG12 ' CG2' ' A' ' 34' ' ' ILE . 2.5 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.616 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.3 mt -106.77 154.31 21.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.065 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.12 179.74 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.18 -58.09 16.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.96 -40.57 20.79 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.01 -38.14 78.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 9' ' ' SER . 4.9 tp -69.27 -43.53 73.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -35.29 66.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' HG12 ' A' ' 19' ' ' ILE . 2.8 mptp? -71.65 -45.32 62.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.387 1.055 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.616 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 37.1 t-105 -59.03 -64.89 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -47.45 -24.02 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -92.27 49.37 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.558 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.7 mm -130.58 144.48 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.26 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.52 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.496 0.189 . . . . 0.0 110.971 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.32 173.74 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' CD1' HD12 ' A' ' 13' ' ' LEU . 2.6 mm? -61.33 -26.79 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -45.69 92.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -63.99 -35.92 82.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.435 HG13 ' NE1' ' A' ' 16' ' ' TRP . 4.2 mt -63.79 -50.05 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.02 -44.51 62.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 109.364 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -62.56 -39.58 94.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.001 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.448 ' CB ' HG22 ' A' ' 81' ' ' THR . . . -59.35 -52.88 63.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -34.78 77.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -60.7 -41.14 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.17 -34.88 79.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 86.4 mt -59.61 -49.45 77.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 109.237 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -57.13 -37.18 71.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -35.79 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.81 7.79 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.91 46.15 4.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 5.4 p -124.96 150.13 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.92 127.58 91.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -18.96 18.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.82 -10.66 59.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.2 mt -74.06 -27.9 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 8.2 tp -81.43 -15.84 53.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -74.48 -22.06 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.3 p -125.87 157.99 36.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.374 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.5 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 9.8 p -70.09 -31.05 68.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -50.0 72.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.449 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -61.66 -37.13 93.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.13 -41.22 97.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.04 -42.18 93.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.88 -38.64 91.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.452 ' CG2' HD11 ' A' ' 82' ' ' ILE . 1.1 mp -72.71 -73.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.403 1.064 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.436 HD12 ' CD2' ' A' ' 79' ' ' TYR . 12.4 tp -41.22 -36.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.95 -48.97 83.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' ILE . 12.1 tt0 -97.41 22.12 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.489 HD22 ' CD2' ' A' ' 79' ' ' TYR . 13.5 tp -107.74 -26.85 10.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.613 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -53.65 -44.83 98.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.99 -40.67 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -68.24 -11.69 59.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.59 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.4 mt -70.65 -44.33 67.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -7.36 52.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.437 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.5 t -119.43 -5.94 10.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -80.62 -98.2 0.35 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 24.4 p 167.34 -176.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.403 0.707 . . . . 0.0 109.95 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.43 -40.82 95.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -71.41 -47.06 58.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 110.242 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.424 ' CD2' HD22 ' A' ' 68' ' ' LEU . 7.9 tt -60.8 -34.42 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.492 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 19.9 mtt-85 -61.51 -43.79 98.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 7.3 t -61.18 -30.69 70.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.939 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -66.17 -47.4 74.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.59 ' CD2' HD13 ' A' ' 68' ' ' LEU . 1.5 t80 -58.14 -42.81 86.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -59.18 -31.86 69.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.448 HG22 ' CB ' ' A' ' 37' ' ' ALA . 28.8 m -67.01 -48.12 69.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.452 HD11 ' CG2' ' A' ' 60' ' ' ILE . 8.8 mt -66.39 -37.96 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.547 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -56.04 -58.36 8.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.8 t -58.51 -42.06 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.567 HD13 ' CE3' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -56.82 -35.48 68.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 25.3 t80 -61.89 -51.98 65.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -37.87 81.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.413 1.071 . . . . 0.0 108.311 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -62.71 -39.96 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.5 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 2.0 m80 -55.85 -40.13 72.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.627 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.47 ' CB ' HD12 ' A' ' 92' ' ' ILE . 2.0 mp0 -88.37 -17.77 29.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.098 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 76.6 39.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.273 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.47 HD12 ' CB ' ' A' ' 90' ' ' GLN . 2.3 mp -75.87 141.2 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.02 92.79 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.5 m -111.39 173.67 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -142.49 -61.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.19 170.26 9.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.521 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.2 m -60.56 -44.73 95.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -32.4 69.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -34.65 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -70.49 -39.52 74.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.72 -47.25 80.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.6 -40.55 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -64.2 -61.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.547 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.9 pt -56.48 -27.99 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.423 ' CG1' ' OD2' ' A' ' 183' ' ' ASP . 1.5 tt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.86 160.48 52.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -23.16 14.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -64.39 -40.97 96.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.39 -32.42 73.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.352 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.496 ' CD2' ' HA ' ' A' ' 187' ' ' MET . 16.8 mt -72.19 -42.49 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.0 -30.9 69.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.81 -49.62 72.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.571 ' CZ3' ' HE1' ' A' ' 187' ' ' MET . 13.1 t90 -67.5 -48.4 67.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 107.954 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.495 ' CG2' ' OG1' ' A' ' 190' ' ' THR . 43.9 t -44.46 -43.36 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -63.9 -40.02 95.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 155' ' ' TRP . 5.9 t -63.72 -44.89 98.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 23.7 t -55.06 -29.57 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -77.78 -33.8 52.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.77 -78.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 26.9 mmtt -69.84 -71.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.561 ' O ' ' CD1' ' A' ' 164' ' ' PHE . . . 85.89 -48.27 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 163' ' ' ALA . 0.7 OUTLIER -159.33 129.94 5.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.041 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 177.46 170.82 0.42 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.012 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -18.59 18.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -94.76 0.93 55.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 169' ' ' ILE . 0.3 OUTLIER -103.6 -34.6 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.4 mm -55.5 -44.91 99.89 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.02 -35.49 3.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.11 -39.8 93.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.409 1.068 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.563 ' CE2' HG23 ' A' ' 266' ' ' ILE . 32.9 t80 -61.17 -44.28 97.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -34.42 76.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.69 91.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.78 -14.1 59.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 17.8 t -107.63 13.74 26.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -40.3 104.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 41.93 71.23 0.38 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.1 -176.32 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.235 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.595 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.7 OUTLIER -112.51 -172.06 0.22 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.595 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.03 -41.83 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.449 1.763 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -65.25 -63.47 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . 0.423 ' OD2' ' CG1' ' A' ' 147' ' ' ILE . 0.0 OUTLIER -47.6 -47.51 28.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.451 ' CG ' ' O ' ' A' ' 180' ' ' THR . 54.9 mt -60.75 -41.61 95.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.229 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -42.41 72.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.471 HG21 ' CD2' ' A' ' 152' ' ' LEU . 0.3 OUTLIER -71.25 -35.72 71.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.409 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.571 ' HE1' ' CZ3' ' A' ' 155' ' ' TRP . 0.7 OUTLIER -61.43 -45.49 94.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.462 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 1.0 OUTLIER -80.2 -10.8 59.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -83.58 -23.93 31.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.386 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.495 ' OG1' ' CG2' ' A' ' 156' ' ' VAL . 4.9 t -97.21 -18.94 18.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.471 HG13 ' CE ' ' A' ' 198' ' ' MET . 0.6 OUTLIER -51.12 -178.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -165.89 56.48 0.25 Allowed Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.547 1.155 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -105.4 26.45 21.59 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 0.3 OUTLIER 81.61 139.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 0.73 . . . . 0.0 109.544 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -64.13 -38.09 89.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -58.03 -49.48 76.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.418 1.074 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.04 79.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.231 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.471 ' CE ' HG13 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.07 -37.5 74.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -57.83 -54.58 45.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -60.02 -29.15 68.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.484 HD12 ' CD1' ' A' ' 273' ' ' ILE . 0.8 OUTLIER -65.55 -36.68 84.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.239 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 0.0 OUTLIER -68.74 -30.26 68.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 11.0 tt0 -67.17 -47.05 72.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.78 -48.88 34.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.471 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 266' ' ' ILE . 19.9 mt -58.74 -55.52 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 3.2 t30 -58.4 -37.94 76.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . 0.414 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 1.0 OUTLIER -65.73 -29.73 70.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . 0.462 ' HB3' ' CE2' ' A' ' 265' ' ' TRP . 0.0 OUTLIER -67.35 -34.46 77.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.469 ' CA ' ' HA3' ' A' ' 233' ' ' GLY . . . -69.3 -50.05 50.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.01 75.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.46 -36.27 82.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.23 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . 0.409 ' NE1' HD13 ' A' ' 236' ' ' ILE . 75.9 t-105 -58.99 -62.54 1.81 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.573 1.171 . . . . 0.0 107.99 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.17 -33.53 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -38.52 83.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . 0.437 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.5 Cg_endo -74.94 148.96 36.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.85 172.39 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . 0.469 ' HA3' ' CA ' ' A' ' 209' ' ' ALA . . . -48.64 -38.28 21.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.393 1.058 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 72.6 m -62.46 -46.83 86.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 109.977 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . 0.485 ' CG ' ' CG2' ' A' ' 240' ' ' THR . 0.9 OUTLIER -59.9 -35.35 74.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 258' ' ' VAL . 46.8 mt -60.16 -34.56 57.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.6 -6.42 40.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 181' ' ' PRO . . . 65.52 26.2 71.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 14.7 t -90.49 -37.6 13.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 110.341 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 240' ' ' THR . . . . . 0.485 ' CG2' ' CG ' ' A' ' 235' ' ' ASP . 11.5 t -104.67 -1.18 26.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 80.8 p -125.82 133.81 51.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.79 159.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 247' ' ' ILE . 1.3 tm? -70.14 -38.21 75.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.52 -34.66 67.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.083 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -40.28 94.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -66.02 -59.16 4.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 180' ' ' THR . 0.7 OUTLIER -47.7 -39.88 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.94 -47.78 89.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . 0.533 ' CD1' HD12 ' A' ' 256' ' ' ILE . 0.6 OUTLIER -65.32 -32.01 73.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 14.8 mtm -65.6 -26.47 67.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 11.4 t -118.14 22.11 12.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.433 ' CD2' ' H ' ' A' ' 253' ' ' ASN . 29.1 t60 -90.24 173.73 7.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.433 ' H ' ' CD2' ' A' ' 252' ' ' HIS . 31.3 m120 -122.04 112.59 31.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.95 158.8 98.76 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.988 0.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.423 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.09 119.87 5.8 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . 0.533 HD12 ' CD1' ' A' ' 249' ' ' TRP . 4.5 mt -92.86 114.84 63.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.81 4.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.489 ' CG1' ' N ' ' A' ' 259' ' ' GLY . 0.3 OUTLIER -61.9 -48.91 86.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . 0.489 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -61.38 -41.6 99.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.571 1.169 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -32.31 73.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.247 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . . . . . . . . . 17.9 mt -69.68 -43.45 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -66.86 -48.62 68.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.44 -36.16 68.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -64.93 -33.99 77.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.288 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.462 ' CE2' ' HB3' ' A' ' 208' ' ' GLU . 53.9 m0 -61.96 -44.08 97.49 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.563 HG23 ' CE2' ' A' ' 172' ' ' PHE . 26.5 mt -57.39 -45.39 85.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -31.69 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -56.22 24.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 272' ' ' LYS . . . -62.3 -57.47 16.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.571 1.17 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.551 ' CB ' ' CD1' ' A' ' 169' ' ' ILE . 11.7 mt -45.51 -35.81 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -63.47 -41.02 98.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.4 OUTLIER -68.77 -39.18 80.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . 0.484 ' CD1' HD12 ' A' ' 201' ' ' LEU . 32.1 mt -59.45 -45.93 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.77 -46.06 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -16.32 13.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.69 -37.92 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -95.31 18.16 13.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.98 150.16 92.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 34' ' ' ILE . 35.6 t . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.613 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.0 mt -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.48 179.56 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.79 -58.19 15.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.54 -40.57 27.12 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.85 -42.63 89.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.476 ' CB ' ' O ' ' A' ' 9' ' ' SER . 7.6 tp -64.5 -43.64 93.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -56.04 -32.03 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -45.03 33.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.698 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 23.5 t-105 -57.03 -61.74 2.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.96 -21.07 42.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 6.5 tttt -88.49 43.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.537 ' CD1' ' CG1' ' A' ' 84' ' ' VAL . 40.2 mt -139.0 127.01 27.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.454 0.168 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.21 173.98 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -60.8 -28.86 69.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -62.05 -44.03 97.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.378 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -63.28 -36.95 85.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.597 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.46 ' CG2' HG11 ' A' ' 7' ' ' VAL . 4.6 mt -62.71 -50.81 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.417 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.25 -44.6 65.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -62.39 -39.91 94.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 -50.4 74.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 p -58.11 -34.86 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.61 -40.84 93.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.359 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.68 -34.68 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 110.306 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 95.9 mt -57.77 -50.02 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.41 -41.52 85.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -36.75 75.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -76.12 0.46 18.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 69.89 44.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 5.1 p -124.99 149.95 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.89 132.68 94.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -18.85 18.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.35 -11.55 56.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 27.8 mt -71.17 -39.08 72.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.4 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 8.8 tp -70.43 -7.6 44.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -21.8 31.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.7 p -125.61 156.1 39.71 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.414 1.071 . . . . 0.0 110.391 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.9 p -66.55 -33.08 74.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 3.2 mt-10 -66.32 -36.51 83.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.457 ' CA ' ' HB3' ' A' ' 50' ' ' LEU . . . -73.84 -35.98 53.54 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -44.88 89.38 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.483 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 9.6 ptt180 -68.27 -31.73 71.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -45.22 94.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.443 ' CG2' HD11 ' A' ' 82' ' ' ILE . 1.8 mp -67.6 -69.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.558 HD12 ' CD2' ' A' ' 79' ' ' TYR . 11.7 tp -40.54 -34.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.63 -48.87 78.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.2 OUTLIER -96.76 22.56 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 110.356 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.523 HD23 ' CD2' ' A' ' 79' ' ' TYR . 18.0 tp -110.32 -27.01 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.611 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 tm0? -53.08 -45.14 98.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.93 -39.92 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -68.36 -12.63 61.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.594 HD11 ' CD2' ' A' ' 79' ' ' TYR . 7.4 mt -71.09 -43.82 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' A' ' 66' ' ' PRO . 1.9 pt20 -74.57 -6.4 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.457 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.86 -4.47 9.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -82.83 -101.05 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 14.8 p 169.11 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 110.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -41.52 86.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -45.7 62.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.7 -34.05 72.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.477 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 32.9 ttt180 -61.11 -48.59 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.29 -36.43 66.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -60.18 -47.4 86.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.594 ' CD2' HD11 ' A' ' 68' ' ' LEU . 2.4 t80 -63.52 -43.28 97.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.457 ' CG ' ' CG2' ' A' ' 97' ' ' THR . 1.3 t-20 -55.96 -33.12 64.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -70.58 -44.88 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.473 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.448 ' CD1' HD13 ' A' ' 78' ' ' LEU . 11.6 mt -65.56 -36.11 76.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.525 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -60.61 -54.92 39.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.589 HG11 ' CE3' ' A' ' 16' ' ' TRP . 21.1 t -58.74 -45.48 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.23 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.571 HD13 ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -55.72 -45.71 77.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' A' ' 58' ' ' ARG . 39.3 t80 -60.42 -37.08 79.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.431 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -68.37 -33.24 73.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.35 1.031 . . . . 0.0 108.321 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.21 -32.82 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -67.97 -40.53 83.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.472 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 0.5 OUTLIER -85.31 -14.07 47.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.7 mtt85 64.49 46.89 3.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 2.6 mp -83.62 141.5 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.43 105.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.415 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 23.7 m -134.47 173.0 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -144.42 -52.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -113.54 170.64 8.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.517 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 25.2 m -60.58 -44.58 96.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.444 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -62.54 -31.58 72.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -63.15 -36.8 84.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.489 ' O ' ' CG2' ' A' ' 104' ' ' ILE . . . -69.12 -36.87 77.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.404 ' O ' ' CD ' ' A' ' 105' ' ' GLU . 1.3 mp -55.78 -48.03 76.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.66 -43.46 63.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -61.04 2.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.525 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 2.8 pt -56.03 -27.81 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.236 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.473 ' CD1' HG21 ' A' ' 151' ' ' THR . 1.4 tt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.14 160.17 52.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.993 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -21.97 15.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -65.92 -37.82 87.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.473 HG21 ' CD1' ' A' ' 147' ' ' ILE . 0.6 OUTLIER -66.42 -38.54 87.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.401 1.063 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.495 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 20.2 mt -59.87 -42.38 93.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -66.92 -42.25 85.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.13 78.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.6 ' CE2' ' CG2' ' A' ' 159' ' ' VAL . 29.3 t-105 -61.96 -46.85 87.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 108.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 46.2 t -45.35 -42.44 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -68.2 -36.4 79.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 155' ' ' TRP . 79.6 t -63.33 -45.38 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.6 ' CG2' ' CE2' ' A' ' 155' ' ' TRP . 68.9 t -61.94 -46.89 95.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -16.34 63.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -81.31 -52.33 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.48 ' O ' ' CG2' ' A' ' 168' ' ' VAL . 3.8 mttt -165.22 59.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -40.57 -45.79 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 164' ' ' PHE . 11.9 p90 -110.63 104.53 13.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.477 ' HB2' ' HD2' ' A' ' 166' ' ' PRO . 49.2 p -179.29 163.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . 0.477 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.2 Cg_endo -75.07 -16.75 19.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -95.06 4.8 53.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 162' ' ' LYS . 0.3 OUTLIER -111.31 -32.48 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.641 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 15.3 mm -57.03 -43.86 99.54 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.1 -35.21 3.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -46.0 91.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.57 ' CE1' ' HE3' ' A' ' 187' ' ' MET . 78.6 t80 -62.08 -44.38 96.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 51.8 p -60.84 -34.53 74.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.44 92.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.225 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.44 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -74.43 -10.51 59.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' SER . . . . . 0.445 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 15.3 p -98.56 14.18 29.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.951 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.02 104.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.37 66.28 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -104.01 -174.3 2.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.341 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.599 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.6 OUTLIER -113.51 -172.22 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.599 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.4 Cg_endo -74.99 -39.26 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -68.32 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . 0.463 ' OD2' ' CG1' ' A' ' 147' ' ' ILE . 0.0 OUTLIER -45.1 -46.35 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 176' ' ' SER . 41.9 mt -62.75 -45.9 90.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -55.24 -36.1 65.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.478 HG21 ' CD2' ' A' ' 152' ' ' LEU . 0.8 OUTLIER -61.46 -47.15 87.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.346 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.57 ' HE3' ' CE1' ' A' ' 172' ' ' PHE . 1.5 ttp -63.9 -45.64 88.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 266' ' ' ILE . 13.0 mt -64.79 -25.47 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -70.67 -48.53 54.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.5 t -76.86 -3.16 37.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.456 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.41 -175.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.409 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -168.24 59.45 0.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.4 1.062 . . . . 0.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 197' ' ' ALA . . . -116.97 33.14 5.18 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.3 t60 78.78 136.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.603 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -59.93 -38.05 81.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.3 76.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 193' ' ' GLY . . . -59.22 -49.71 76.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.238 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 198' ' ' MET . . . . . . . . . . . . . 1.3 mmt -57.91 -33.74 69.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -68.63 -54.58 15.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 10.5 tmm? -59.04 -36.6 75.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.467 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 28.6 tp -61.36 -34.93 76.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -67.58 -32.54 73.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.05 -46.38 74.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -48.91 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.365 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.469 HD13 ' CG1' ' A' ' 266' ' ' ILE . 10.1 mt -58.87 -54.93 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -57.96 -37.12 73.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -67.05 -29.6 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.74 -43.72 83.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.473 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -60.39 -50.1 74.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.02 75.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -34.33 76.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . 0.44 ' CE3' HD12 ' A' ' 215' ' ' LEU . 57.3 t-105 -57.61 -56.13 25.86 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.29 -33.54 65.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.158 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -37.86 85.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.235 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . 0.44 HD12 ' CE3' ' A' ' 212' ' ' TRP . 2.9 pp . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . 0.4 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.0 Cg_endo -75.01 149.38 36.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -85.97 177.76 7.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . 0.473 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -55.44 -38.27 69.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 1.5 m -64.87 -40.52 95.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 0.743 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.9 OUTLIER -59.5 -41.77 90.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.457 HG12 ' CG2' ' A' ' 258' ' ' VAL . 14.5 mt -60.61 -31.06 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.98 -8.14 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.24 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 74.46 24.37 73.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.592 1.182 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.46 -38.33 13.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 11.0 m -104.46 -0.07 28.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 1.2 t -138.44 143.24 39.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.435 HG21 ' N ' ' A' ' 243' ' ' LEU . 0.6 OUTLIER -72.21 175.03 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.472 HD12 ' CG1' ' A' ' 247' ' ' ILE . 3.0 tm? -67.07 -59.98 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -50.11 -25.13 3.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -69.89 -49.33 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -70.09 -36.75 75.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.478 HD13 ' CG2' ' A' ' 180' ' ' THR . 28.5 mm -52.8 -56.73 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.59 -47.71 89.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -31.3 63.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 5.2 ttm -66.22 -39.89 89.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 30.6 m -110.6 22.95 14.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.168 . . . . 0.0 110.382 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 255' ' ' PRO . 54.6 t-80 -78.05 169.95 17.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.641 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 0.9 OUTLIER -121.95 110.63 32.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.1 Cg_endo -75.0 159.84 97.43 Favored 'Cis proline' 0 C--N 1.361 1.226 0 C-N-CA 120.97 -2.512 . . . . 0.0 110.949 0.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -75.04 123.98 8.26 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 5.7 mt -93.06 130.16 37.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.48 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.2 Cg_endo -74.93 54.86 3.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.546 1.814 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 236' ' ' ILE . 1.4 t -62.27 -59.74 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.77 -38.17 95.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.091 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -35.3 75.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . 0.48 ' CG1' ' O ' ' A' ' 257' ' ' PRO . 13.6 mt -63.78 -45.87 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . 0.574 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 19.8 t80 -69.08 -44.54 72.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.28 -42.54 77.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -33.66 75.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.457 ' CH2' ' HB3' ' A' ' 209' ' ' ALA . 52.2 m0 -63.02 -48.23 79.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.565 HG22 ' CE2' ' A' ' 172' ' ' PHE . 54.6 mt -58.0 -48.41 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -32.62 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -57.87 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -63.61 -58.75 10.2 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.52 ' CB ' ' CD1' ' A' ' 169' ' ' ILE . 14.3 mt -43.84 -35.89 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -46.57 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 269' ' ' GLY . 2.3 mptm? -66.25 -37.38 85.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 31.2 mt -63.61 -43.48 98.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 80.2 t -61.76 -46.18 97.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -64.48 -16.4 62.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.78 -38.06 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.83 15.4 23.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.07 152.32 55.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.184 0 O-C-N 124.398 1.736 . . . . 0.0 111.047 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.469 HG12 ' CG2' ' A' ' 34' ' ' ILE . 2.9 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.557 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.2 mt -108.22 156.77 18.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.237 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -88.26 179.82 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.941 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.4 -57.55 19.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.423 1.077 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.88 -40.74 24.97 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.8 -40.66 84.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.468 ' CB ' ' O ' ' A' ' 9' ' ' SER . 21.2 tp -67.54 -39.78 85.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 92.1 m-20 -56.07 -31.9 63.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' CA ' ' HE2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -76.96 -44.7 30.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.799 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 67.0 t-105 -55.98 -60.58 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 107.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.86 -22.54 59.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -91.43 39.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.455 ' CD1' HG12 ' A' ' 84' ' ' VAL . 54.7 mt -141.58 139.62 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.253 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.799 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.592 0.234 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -142.39 168.18 20.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -61.05 -28.1 68.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -61.76 -45.12 95.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -63.05 -36.06 82.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.589 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.469 ' CG2' HG12 ' A' ' 7' ' ' VAL . 4.4 mt -63.52 -50.12 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.366 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.31 -44.59 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 43.0 t90 -62.79 -39.75 95.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 108.009 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.453 ' CB ' HG22 ' A' ' 81' ' ' THR . . . -58.95 -52.97 63.48 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -34.93 77.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -41.13 94.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.493 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 2.9 tt0 -65.25 -34.98 79.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 95.9 mt -62.55 -45.78 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.18 -41.21 78.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -25.35 65.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 3.3 m-85 -83.66 10.45 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 60.4 38.18 19.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 9.9 p -125.04 150.08 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -64.48 132.13 95.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -18.91 18.4 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.83 -9.73 59.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.68 -36.14 73.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 8.8 tp -75.29 -18.77 59.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -22.02 59.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.2 p -125.89 154.27 42.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.448 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 1.4 p -68.53 -30.31 69.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.074 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.0 -48.77 78.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.454 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -63.43 -34.88 91.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.7 m -63.9 -40.85 97.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -59.98 -37.8 80.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -36.89 75.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.454 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 1.2 mp -74.57 -75.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.537 HD13 ' CE1' ' A' ' 79' ' ' TYR . 9.2 tp -44.13 -35.06 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.86 -49.0 83.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.39 22.79 10.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.313 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.437 HD23 ' CD2' ' A' ' 79' ' ' TYR . 12.5 tp -107.79 -26.99 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.23 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.612 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 6.1 tm0? -52.85 -45.29 97.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.241 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -75.03 -40.35 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.536 1.809 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 71' ' ' GLY . 63.1 m -68.47 -11.79 60.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.594 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.4 mt -70.98 -44.19 66.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -74.35 -7.12 51.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.72 -5.55 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.48 -98.94 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 20.9 p 167.43 -175.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 0.74 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -61.21 -40.95 95.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -47.07 57.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.388 1.055 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.433 ' CD2' HD21 ' A' ' 68' ' ' LEU . 6.0 tt -60.64 -34.32 74.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.476 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.57 -42.79 99.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.47 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 38.5 t -62.18 -30.46 71.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -42.54 88.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.608 1.193 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.594 ' CD2' HD13 ' A' ' 68' ' ' LEU . 1.6 t80 -64.59 -43.26 94.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.3 OUTLIER -59.11 -26.43 64.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.571 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 47.9 m -71.75 -48.46 46.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.3 mt -69.24 -33.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.509 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -56.97 -60.82 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.7 t -58.1 -41.31 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.587 ' CD1' ' CE3' ' A' ' 16' ' ' TRP . 1.1 mp -56.62 -38.45 72.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -59.86 -48.35 82.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.8 OUTLIER -63.96 -40.0 95.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.3 t -60.86 -39.85 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 1.3 m80 -57.26 -40.2 77.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.601 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.462 ' CB ' HD13 ' A' ' 92' ' ' ILE . 0.4 OUTLIER -91.06 -9.79 44.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.9 OUTLIER 65.92 43.39 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.462 HD13 ' CB ' ' A' ' 90' ' ' GLN . 2.1 mp -75.92 140.92 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' N ' HG21 ' A' ' 92' ' ' ILE . 47.3 m-20 -63.28 89.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.3 m -116.71 173.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -143.91 -47.24 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.441 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -128.33 170.21 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.521 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 5.7 m -59.87 -44.69 94.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.441 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 6.0 tmtm? -54.61 -32.15 58.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.382 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -68.95 -40.36 78.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.445 ' O ' ' CG2' ' A' ' 104' ' ' ILE . . . -70.62 -39.29 73.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 2.7 mp -56.02 -46.73 78.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -72.28 -44.68 62.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.58 -62.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.509 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.5 pt -55.74 -28.26 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 3.3 tt0 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 151' ' ' THR . 1.2 tt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.07 160.55 51.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 109.962 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -22.9 14.45 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.441 1.759 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -37.47 86.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.471 HG21 ' CD1' ' A' ' 147' ' ' ILE . 0.6 OUTLIER -68.67 -38.66 80.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.448 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 21.6 mt -61.72 -41.59 97.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.59 -37.91 85.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.96 74.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.438 ' CZ3' ' CG1' ' A' ' 158' ' ' VAL . 61.5 t-105 -62.05 -43.4 98.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 39.3 t -46.04 -43.32 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.368 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -70.17 -33.87 72.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.133 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.438 ' CG1' ' CZ3' ' A' ' 155' ' ' TRP . 97.3 t -63.61 -42.34 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 40.8 t -77.62 -31.79 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.083 . . . . 0.0 109.357 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.04 -35.09 79.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -90.05 -60.07 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 9.1 mmtt -82.56 -79.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.03 -47.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.559 ' O ' ' CG ' ' A' ' 164' ' ' PHE . 1.9 p90 -155.39 61.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.94 168.42 8.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.35 18.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.552 1.817 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.52 0.55 56.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 162' ' ' LYS . 0.3 OUTLIER -103.57 -34.32 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 27.3 mm -53.66 -45.26 98.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.12 -37.06 2.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -33.54 74.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.427 ' CE2' HD11 ' A' ' 270' ' ' LEU . 2.5 t80 -61.81 -39.44 91.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 3.9 t -74.62 -27.09 60.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.4 -45.95 61.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.471 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.27 -27.42 53.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 4.1 p -100.77 13.82 33.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.35 105.97 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 45.42 67.85 1.14 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.33 -176.62 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 0.0 109.246 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.532 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 1.3 p -109.68 -175.91 0.37 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.2 Cg_endo -75.02 -39.62 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -31.07 69.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 183' ' ' ASP . 5.9 t0 -80.83 -48.83 11.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 180' ' ' THR . 8.7 mt -61.82 -34.18 75.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.227 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -71.5 -31.84 67.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.446 ' CG2' HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -68.61 -48.45 64.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.502 ' HG3' ' N ' ' A' ' 188' ' ' LEU . 1.8 ppp? -69.79 -32.93 71.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.502 ' N ' ' HG3' ' A' ' 187' ' ' MET . 10.4 mt -74.28 -32.68 63.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 189' ' ' ASN . 38.3 t-20 -68.7 -30.24 68.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 191' ' ' VAL . 1.8 t -87.85 -13.66 41.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.473 HG13 ' CE ' ' A' ' 198' ' ' MET . 0.6 OUTLIER -51.65 -177.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -167.37 57.05 0.23 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 197' ' ' ALA . . . -109.33 28.26 11.22 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 79.58 136.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.59 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -57.92 -38.05 75.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.33 76.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 193' ' ' GLY . . . -59.17 -49.67 76.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.473 ' CE ' HG13 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.9 -34.44 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -69.71 -54.56 13.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -58.74 -30.26 67.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.469 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 16.8 tp -65.71 -42.84 90.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -60.9 -29.57 69.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.73 -46.32 75.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.51 -48.02 61.9 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 1.13 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.485 HD11 ' CG1' ' A' ' 266' ' ' ILE . 18.4 mt -58.3 -55.54 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -58.2 -37.4 74.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.293 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -65.81 -29.73 70.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.231 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -40.2 83.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -65.57 -50.12 66.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.89 76.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.48 -40.11 96.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -57.73 -61.27 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 108.008 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.24 -34.51 66.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -60.35 -41.8 94.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 110.353 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.952 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 249' ' ' TRP . 18.2 Cg_endo -75.03 164.14 33.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.526 1.803 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 169.42 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . . . . . . . . . . . -48.72 -37.97 21.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -45.44 93.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 0.757 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.5 OUTLIER -59.92 -35.81 75.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.457 HG12 ' CG2' ' A' ' 258' ' ' VAL . 65.6 mt -60.64 -33.22 53.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.28 -22.69 61.93 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 87.46 25.22 33.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.73 -38.24 47.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 25.1 m -118.4 -0.43 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.377 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 1.2 t -112.69 145.24 40.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 243' ' ' LEU . 0.5 OUTLIER -89.43 167.32 13.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.476 HD11 ' CG1' ' A' ' 247' ' ' ILE . 3.0 tm? -58.26 -60.86 3.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -49.36 -22.33 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.221 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 249' ' ' TRP . 0.6 OUTLIER -70.77 -49.33 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -69.82 -38.81 76.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.486 ' CD1' HG22 ' A' ' 180' ' ' THR . 50.0 mm -55.14 -61.0 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.36 -35.87 89.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . 0.576 ' CZ2' ' HG3' ' A' ' 231' ' ' PRO . 0.0 OUTLIER -59.53 -33.34 71.26 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.4 mtm -80.11 -26.91 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 251' ' ' THR . . . . . 0.425 ' CG2' ' HA2' ' A' ' 248' ' ' GLY . 6.7 t -109.74 22.38 15.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.411 1.069 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.475 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 73.2 t60 -91.96 167.4 12.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.495 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 1.3 m120 -121.64 111.14 33.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.327 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . 0.495 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -75.0 159.79 97.51 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.062 -2.474 . . . . 0.0 110.977 0.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.97 123.36 7.84 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.535 1.808 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 3.5 mt -96.95 115.59 65.77 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 54.47 3.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 236' ' ' ILE . 0.5 OUTLIER -63.02 -39.81 86.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -62.29 -41.93 99.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.26 -32.33 71.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . . . . . . . . . 25.5 mt -64.66 -45.37 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -70.77 -48.86 52.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.3 OUTLIER -56.14 -35.84 67.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 57.6 ttt180 -67.29 -34.13 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -62.19 -42.26 99.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 107.979 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.485 ' CG1' HD11 ' A' ' 205' ' ' ILE . 54.5 mt -57.96 -48.25 84.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -32.37 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -58.01 10.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 272' ' ' LYS . . . -62.63 -59.71 8.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.479 ' CD1' ' CG2' ' A' ' 266' ' ' ILE . 12.4 mt -42.87 -35.7 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 0.81 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -62.97 -47.04 84.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 269' ' ' GLY . 23.7 tttt -66.97 -37.4 84.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 51.6 mt -58.86 -45.95 91.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.78 -41.99 77.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -63.55 -16.22 60.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.91 -35.28 12.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 0.414 ' CG ' ' CE2' ' A' ' 164' ' ' PHE . 0.1 OUTLIER -99.84 16.53 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.38 153.7 92.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 111.049 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 34' ' ' ILE . 3.0 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.625 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.9 mt -99.65 152.39 20.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.07 179.62 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.09 -57.95 16.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.414 1.071 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.05 -41.39 27.37 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.94 -41.29 87.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 110.291 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 9' ' ' SER . 5.3 tp -64.95 -44.11 90.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.489 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -55.91 -31.99 63.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -44.27 38.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.625 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 32.9 t-105 -56.79 -61.21 2.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 108.006 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -56.37 -23.46 37.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 8.4 mttt -87.17 45.24 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.441 ' CD1' HG11 ' A' ' 84' ' ' VAL . 91.0 mt -144.21 138.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.338 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.494 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 1.3 m-85 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.471 0.177 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -142.45 171.36 14.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.446 ' CD1' HD12 ' A' ' 13' ' ' LEU . 2.4 mm? -61.58 -28.61 69.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -61.68 -46.13 91.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -62.79 -35.71 80.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.463 HG22 ' CG1' ' A' ' 7' ' ' VAL . 3.7 mt -62.9 -49.57 83.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.55 -42.88 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -62.58 -40.89 98.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.007 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.08 -52.78 64.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 9.7 p -61.71 -34.78 76.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.64 -40.89 93.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -34.93 79.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 31.4 mt -57.88 -50.14 74.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.19 -41.96 80.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.591 1.182 . . . . 0.0 110.277 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -37.75 77.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.44 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 35.5 t80 -75.96 0.47 18.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 67.62 46.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 9.1 p -124.97 150.03 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.64 129.8 94.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.9 18.4 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.79 -11.47 57.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 60' ' ' ILE . 29.4 mt -72.22 -40.29 67.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.769 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 tp -66.59 -14.66 62.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.23 -21.95 55.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.81 150.05 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.445 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.402 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 19.4 p -65.27 -30.75 71.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.965 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.89 -50.1 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.454 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -60.25 -34.78 85.98 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -41.25 97.65 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -60.04 -39.58 86.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -37.46 87.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.647 1.217 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.457 HG22 ' CD2' ' A' ' 41' ' ' LEU . 1.6 mp -73.55 -74.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.549 HD11 ' CE2' ' A' ' 79' ' ' TYR . 14.1 tp -41.78 -39.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.6 -48.8 82.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -94.92 19.92 9.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 0.739 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' ' 79' ' ' TYR . 9.9 tp -103.62 -29.38 11.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.605 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.5 tm0? -52.18 -45.24 94.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.01 -40.03 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.582 1.833 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 71' ' ' GLY . 48.9 m -68.13 -11.52 59.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.583 HD12 ' CD2' ' A' ' 79' ' ' TYR . 6.7 mt -70.55 -44.28 67.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -73.87 -7.33 51.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.442 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.74 -5.64 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.43 -98.56 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 22.2 p 168.99 -177.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 0.764 . . . . 0.0 109.952 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.58 -40.66 95.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -71.14 -47.26 58.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.8 -34.64 74.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.476 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 5.2 ttt-85 -61.94 -41.27 97.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.43 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 0.3 OUTLIER -63.38 -30.0 71.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -45.94 75.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.583 ' CD2' HD12 ' A' ' 68' ' ' LEU . 2.0 t80 -53.56 -44.31 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.605 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 2.3 p30 -65.3 -26.61 68.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.564 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 22.4 m -70.89 -43.93 67.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.4 mt -72.35 -42.79 65.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -49.76 -52.71 29.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.528 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 3.7 t -58.61 -42.75 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.577 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -57.06 -41.2 78.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -59.89 -36.75 77.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.502 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -66.62 -41.62 88.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.8 -32.65 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.402 ' HB3' ' CB ' ' A' ' 54' ' ' SER . 26.1 m170 -65.36 -40.31 93.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 109.584 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.479 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 1.1 mt-30 -86.62 -20.32 28.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 87' ' ' CYS . 20.5 ttt180 73.7 36.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.283 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 2.8 mt -75.68 141.31 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.158 . . . . 0.0 109.401 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.77 106.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 15.1 m -131.57 172.75 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.38 -47.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.9 170.65 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.528 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 55.0 m -60.29 -45.41 93.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.431 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.55 67.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 103' ' ' LYS . 2.0 tp10 -67.75 -32.0 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -69.29 -41.35 76.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 1.1 mp -56.73 -45.12 82.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.91 -40.12 65.76 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 109.235 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.404 ' CD ' ' O ' ' A' ' 99' ' ' GLU . 3.5 mptt -66.14 -61.23 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.564 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 2.7 pt -55.68 -27.9 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 3.6 mm-40 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.473 ' CD1' HG21 ' A' ' 151' ' ' THR . 1.1 tt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.83 160.64 52.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.946 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -23.35 13.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.442 1.759 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -37.26 87.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.473 HG21 ' CD1' ' A' ' 147' ' ' ILE . 0.6 OUTLIER -70.56 -35.49 73.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.454 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.503 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 25.7 mt -64.87 -43.11 94.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -67.75 -45.67 74.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.75 77.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.433 ' O ' ' N ' ' A' ' 158' ' ' VAL . 33.3 t-105 -61.97 -47.12 86.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 28.2 t -46.72 -43.64 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -61.25 -37.17 82.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 155' ' ' TRP . 47.8 t -70.05 -37.71 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 192' ' ' GLY . 77.0 t -52.93 -42.72 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.9 -38.56 64.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -40.6 85.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.485 ' O ' ' CG2' ' A' ' 168' ' ' VAL . 0.1 OUTLIER -179.05 72.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 162' ' ' LYS . . . -38.25 -48.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.668 ' CZ ' ' CD2' ' A' ' 277' ' ' TYR . 3.5 p90 -127.41 146.26 50.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 170.13 171.64 0.16 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -19.42 17.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.94 5.19 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 162' ' ' LYS . 13.9 t -102.22 -33.64 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.8 mm -52.17 -45.48 93.98 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.2 Cg_endo -75.05 -34.71 3.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -42.49 99.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.422 ' CE1' HD11 ' A' ' 266' ' ' ILE . 24.8 t80 -64.53 -32.42 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 6.8 p -70.56 -26.85 63.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.078 . . . . 0.0 109.952 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.34 -46.14 61.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.28 -21.5 53.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' SER . . . . . 0.472 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 9.9 p -106.19 14.13 28.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.942 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.68 99.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.352 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 58.79 63.5 5.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.71 -176.81 3.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.573 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.6 OUTLIER -116.44 -173.09 0.24 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 110.425 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.01 -42.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -69.86 -39.56 76.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.06 -46.89 61.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.474 ' CG ' ' O ' ' A' ' 180' ' ' THR . 19.8 mt -60.83 -48.79 80.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -55.07 -37.29 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.47 HG22 ' CD2' ' A' ' 152' ' ' LEU . 0.9 OUTLIER -61.76 -45.6 93.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.478 ' HA ' ' CD2' ' A' ' 152' ' ' LEU . 1.4 ttt -62.6 -45.27 93.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.472 HD23 ' CE ' ' A' ' 198' ' ' MET . 44.3 mt -72.03 -16.51 62.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -78.36 -35.18 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.493 ' OG1' ' CG2' ' A' ' 156' ' ' VAL . 7.1 t -86.09 -13.0 48.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -177.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.413 ' N ' HG13 ' A' ' 159' ' ' VAL . . . 165.76 98.09 0.12 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -147.96 -48.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.01 120.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.499 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -57.56 -39.84 77.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.551 1.157 . . . . 0.0 110.234 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.02 -49.34 76.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . 0.433 ' CB ' HG21 ' A' ' 273' ' ' ILE . . . -59.36 -49.57 77.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.472 ' CE ' HD23 ' A' ' 188' ' ' LEU . 0.9 OUTLIER -57.91 -33.6 68.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -66.35 -53.27 38.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -59.25 -46.28 88.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 0.0 111.049 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.471 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 1.5 tp -57.74 -39.28 76.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -41.33 96.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.5 tt0 -67.09 -37.59 84.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.245 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.18 -42.23 72.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.472 HD13 ' CG1' ' A' ' 266' ' ' ILE . 40.8 mt -66.52 -55.44 18.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -58.39 -42.77 87.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 38.3 tt0 -66.15 -29.35 69.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -35.05 78.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.459 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -72.91 -50.19 25.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.53 -48.17 75.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.95 -36.27 77.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -57.65 -62.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.029 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . 0.48 ' OD1' ' CG ' ' A' ' 232' ' ' ARG . 53.6 m-20 -56.43 -32.75 65.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -58.61 -35.98 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . 0.468 ' CB ' HG22 ' A' ' 256' ' ' ILE . 18.3 Cg_endo -75.06 81.91 2.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . 0.48 ' CG ' ' OD1' ' A' ' 213' ' ' ASP . 2.5 mtm105 -86.2 -179.25 6.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.359 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -67.47 -38.39 90.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 5.5 m -72.67 -47.63 45.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 0.727 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -45.08 95.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.518 HG22 ' CH2' ' A' ' 265' ' ' TRP . 14.0 mt -60.59 -27.8 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -73.06 -16.29 61.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 85.57 22.16 51.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 15.4 t -90.66 -33.98 15.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 0.0 110.404 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 93.8 m -104.03 -3.27 24.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.32 153.26 45.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.556 ' CG2' ' N ' ' A' ' 243' ' ' LEU . 0.5 OUTLIER -86.34 175.69 8.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.167 . . . . 0.0 110.418 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.556 ' N ' ' CG2' ' A' ' 242' ' ' THR . 2.4 tm? -60.16 -62.84 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -47.89 -48.5 31.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.13 -33.96 74.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 249' ' ' TRP . 3.1 tp60 -70.39 -72.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.51 ' CD1' HG22 ' A' ' 180' ' ' THR . 0.9 OUTLIER -41.36 -34.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -61.19 -48.22 86.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . 0.726 ' CZ3' ' CE1' ' A' ' 252' ' ' HIS . 0.7 OUTLIER -67.33 -31.69 72.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 250' ' ' MET . . . . . 0.467 ' CE ' HG13 ' A' ' 247' ' ' ILE . 7.6 mtm -62.17 -26.34 68.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 15.3 t -116.81 22.3 12.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.726 ' CE1' ' CZ3' ' A' ' 249' ' ' TRP . 0.1 OUTLIER -78.56 173.9 11.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.647 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 43.3 m-20 -122.55 110.56 32.01 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.0 Cg_endo -75.07 159.41 97.99 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.933 0.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.01 119.93 5.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . 0.468 HG22 ' CB ' ' A' ' 231' ' ' PRO . 5.8 mt -92.68 133.21 29.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.434 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.3 Cg_endo -74.97 59.93 5.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.469 ' CG2' HG12 ' A' ' 236' ' ' ILE . 2.6 t -64.36 -68.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.33 -32.7 81.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -69.54 -32.99 72.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . 0.572 HG23 ' CZ2' ' A' ' 265' ' ' TRP . 8.6 mt -70.6 -39.44 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . 0.532 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.0 OUTLIER -63.92 -48.66 75.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.084 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -56.3 -33.98 66.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.601 1.188 . . . . 0.0 109.373 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 62.3 mtt-85 -67.22 -34.53 77.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.572 ' CZ2' HG23 ' A' ' 261' ' ' ILE . 47.0 m0 -62.18 -44.09 97.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 107.951 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.472 ' CG1' HD13 ' A' ' 205' ' ' ILE . 67.4 mt -56.84 -47.47 82.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -29.68 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -55.64 25.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.471 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.2 -58.2 13.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 169' ' ' ILE . 12.7 mt -44.03 -35.46 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -63.04 -45.91 90.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.0 OUTLIER -67.84 -37.39 81.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . 0.433 HG21 ' CB ' ' A' ' 197' ' ' ALA . 27.5 mt -64.88 -33.43 63.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 270' ' ' LEU . 94.0 t -68.77 -45.66 80.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -16.2 63.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.59 -37.89 12.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 0.668 ' CD2' ' CZ ' ' A' ' 164' ' ' PHE . 20.8 m-85 -101.42 15.54 28.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 111.063 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.98 154.59 80.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 110.975 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.436 ' CG1' HG21 ' A' ' 34' ' ' ILE . 33.4 t . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.619 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.2 mt -101.44 155.66 17.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.76 179.9 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.084 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.67 -57.8 17.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.11 -40.79 19.5 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.72 -39.89 82.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 0.818 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' A' ' 9' ' ' SER . 4.3 tp -67.92 -44.13 77.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -55.91 -35.83 67.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -44.86 63.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.619 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 48.9 t-105 -56.71 -53.03 62.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.43 -23.03 56.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.14 48.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 2.0 mm -129.46 143.29 41.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.283 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.464 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.531 0.205 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -139.91 172.44 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.96 -27.73 68.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -61.87 -45.02 95.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.38 -36.05 82.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.442 HG13 ' NE1' ' A' ' 16' ' ' TRP . 5.0 mt -63.65 -51.0 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.2 -43.1 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -62.44 -41.12 98.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 108.007 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 -51.73 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.4 p -61.66 -34.84 76.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -60.56 -40.93 93.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.36 -34.76 79.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 82.0 mt -57.84 -50.11 74.4 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.27 -42.05 80.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -58.49 -37.71 76.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -76.05 0.42 18.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 67.8 46.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 6.1 p -124.94 149.9 29.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -64.57 131.41 95.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.78 18.5 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.586 1.835 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.47 -11.86 57.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.438 HD13 ' CD1' ' A' ' 60' ' ' ILE . 27.7 mt -72.07 -39.54 68.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.436 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 12.3 tp -68.73 -16.54 63.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -21.95 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.81 145.75 50.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.7 p -60.08 -32.64 71.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -63.99 -49.9 70.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.417 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -62.0 -34.95 90.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -43.77 94.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.51 ' HG3' ' CZ ' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -60.05 -38.49 82.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -39.82 89.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.471 HG21 ' CD2' ' A' ' 41' ' ' LEU . 1.5 mp -70.88 -72.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 tp -40.35 -37.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.05 -48.83 76.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' ILE . 1.5 tt0 -93.06 21.56 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 78' ' ' LEU . 21.0 tp -110.16 -27.6 9.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.606 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.2 tm0? -50.85 -45.72 87.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.94 -38.77 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' GLY . 25.6 m -68.32 -12.58 61.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.549 HD11 ' CD2' ' A' ' 79' ' ' TYR . 7.3 mt -70.58 -44.27 67.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -75.46 -6.49 50.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 1.7 t -117.91 -7.13 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.495 ' HA3' ' CD1' ' A' ' 75' ' ' LEU . . . -83.36 -100.06 0.54 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 p 169.8 -175.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.761 . . . . 0.0 109.995 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.68 -41.92 96.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.596 1.185 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -47.43 54.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.495 ' CD1' ' HA3' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -58.18 -34.85 70.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.423 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 33.3 ttt85 -62.19 -44.03 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.3 -35.2 67.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -61.94 -47.17 86.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.549 ' CD2' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -60.51 -41.57 94.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.476 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 2.6 t-20 -63.35 -31.62 72.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -70.02 -47.76 60.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.37 -43.34 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.644 1.215 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.554 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -49.56 -51.43 36.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.512 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 5.4 t -57.85 -43.8 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.577 HD11 ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.75 -43.71 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.51 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 39.6 t80 -60.25 -43.91 95.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -62.76 -37.43 86.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.2 t -61.06 -32.81 53.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 15.4 m170 -67.54 -40.24 85.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.57 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.496 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 6.0 mt-30 -86.77 -13.5 45.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 87' ' ' CYS . 34.5 mtp85 64.18 41.42 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.496 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.9 mp -76.01 141.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.16 106.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.424 ' CG2' ' SG ' ' A' ' 87' ' ' CYS . 17.7 m -139.12 174.0 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.235 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.02 -69.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.418 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -101.43 171.69 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.512 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 63.2 m -59.71 -42.45 93.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.418 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 1.2 tttt -61.12 -31.56 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -67.56 -32.28 72.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -68.53 -42.07 79.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.502 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 0.8 OUTLIER -56.57 -42.69 79.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -73.58 -42.52 61.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.416 ' CG ' HG21 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -65.3 -61.54 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.554 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.8 pt -55.32 -27.89 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 2.7 mt-10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.62 161.76 47.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.929 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.15 14.14 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.449 1.762 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -44.31 89.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.478 ' OG1' ' CD2' ' A' ' 175' ' ' LEU . 2.3 t -70.31 -36.06 74.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.566 HD21 ' CE3' ' A' ' 155' ' ' TRP . 25.8 mt -64.03 -32.59 74.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.06 -47.1 66.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.64 -49.62 76.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.609 ' CD1' ' SD ' ' A' ' 187' ' ' MET . 1.9 t90 -61.81 -49.22 77.18 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 3.9 t -44.88 -44.11 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -60.1 -37.62 80.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 155' ' ' TRP . 75.6 t -69.42 -45.27 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.482 HG22 ' CE2' ' A' ' 155' ' ' TRP . 2.6 t -52.87 -46.21 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -21.66 61.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -76.82 -37.53 55.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -140.19 -57.97 0.54 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 84.23 -48.4 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.73 ' CE2' ' CD2' ' A' ' 277' ' ' TYR . 4.3 p90 -145.54 109.69 4.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.7 172.32 4.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -19.57 17.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.45 1.763 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.98 -2.46 53.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.563 HG11 ' CE1' ' A' ' 172' ' ' PHE . 2.9 t -99.92 -34.09 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 0.3 OUTLIER -49.89 -48.44 77.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.02 -34.22 3.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.431 ' HE3' ' CG1' ' A' ' 158' ' ' VAL . 1.8 tmm? -61.88 -36.12 80.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.563 ' CE1' HG11 ' A' ' 168' ' ' VAL . 4.6 m-30 -72.81 -35.5 67.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' SER . . . . . 0.436 ' HB2' ' CD1' ' A' ' 267' ' ' ILE . 3.6 t -73.38 -28.66 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.07 -45.64 63.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.478 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -74.63 -35.93 62.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' SER . . . . . 0.456 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 25.1 p -95.18 14.37 22.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 176' ' ' SER . 1.0 OUTLIER -38.0 101.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 57.48 66.15 3.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.99 172.91 6.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 0.795 . . . . 0.0 109.343 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.57 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.5 OUTLIER -96.86 -173.46 0.33 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.5 Cg_endo -74.98 -40.84 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.437 1.756 . . . . 0.0 111.052 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -70.43 -42.09 72.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.27 -49.56 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.234 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 176' ' ' SER . 21.4 mt -63.74 -37.06 85.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 38.0 t-20 -63.32 -34.53 77.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.403 HG22 ' CD1' ' A' ' 152' ' ' LEU . 0.3 OUTLIER -60.82 -45.3 94.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.609 ' SD ' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -68.27 -44.81 74.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 5.9 mp -80.89 6.03 14.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 1.9 t30 -102.04 -49.17 4.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 191' ' ' VAL . 2.3 t -97.69 11.6 36.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.172 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.469 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.9 OUTLIER -51.47 -176.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.408 ' N ' HG12 ' A' ' 159' ' ' VAL . . . -159.89 59.39 0.31 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -112.17 -71.27 0.59 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -177.81 130.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.543 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -57.52 -41.84 81.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.56 74.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.04 79.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.469 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.07 -33.19 68.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 111.044 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.85 -53.51 54.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 53.9 mtm -64.56 -46.4 82.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.478 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 1.4 tp -57.95 -41.97 83.95 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.574 1.171 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -61.29 -40.94 95.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 0.7 OUTLIER -66.77 -37.99 85.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.06 -40.69 74.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.478 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.441 HD12 ' CG1' ' A' ' 266' ' ' ILE . 31.4 mt -67.04 -55.99 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -40.92 85.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 32.8 tt0 -67.21 -29.21 68.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . 0.43 ' HA ' ' CG ' ' A' ' 211' ' ' GLU . 0.8 OUTLIER -64.72 -32.05 73.55 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -74.75 -49.75 19.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -58.31 -48.31 80.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . 0.43 ' CG ' ' HA ' ' A' ' 208' ' ' GLU . 3.0 pp20? -67.08 -36.52 82.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -59.08 -60.63 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 107.961 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -56.34 -33.2 65.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -59.23 -42.1 90.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 102.86 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -116.72 143.55 45.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . . . . . . . . . . . -51.19 -38.41 40.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -35.75 76.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 110.016 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -74.35 -48.5 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.551 HG23 ' CH2' ' A' ' 265' ' ' TRP . 7.0 mt -61.41 -24.24 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -77.07 -23.14 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 86.52 25.91 34.48 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.172 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.43 -38.44 49.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 0.781 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 25.2 m -130.42 5.44 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 8.4 t -121.61 157.92 29.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.471 ' CG2' ' HG2' ' A' ' 244' ' ' GLN . 0.7 OUTLIER -96.88 176.66 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' A' ' 247' ' ' ILE . 1.4 tm? -67.11 -58.74 4.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . 0.471 ' HG2' ' CG2' ' A' ' 242' ' ' THR . 0.4 OUTLIER -54.37 -23.12 14.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 244' ' ' GLN . 6.5 mt-10 -71.05 -41.14 71.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 242' ' ' THR . 0.0 OUTLIER -67.93 -53.79 23.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.483 ' CD1' HG22 ' A' ' 180' ' ' THR . 0.9 OUTLIER -50.84 -41.2 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.88 -51.59 57.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . 0.57 ' CZ3' ' CE1' ' A' ' 252' ' ' HIS . 0.7 OUTLIER -61.22 -31.93 71.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 24.0 mtm -68.13 -23.57 64.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 30.3 m -118.3 22.35 12.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.57 ' CE1' ' CZ3' ' A' ' 249' ' ' TRP . 0.3 OUTLIER -84.8 170.19 13.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.593 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 1.0 OUTLIER -122.03 111.0 32.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.2 Cg_endo -75.11 159.42 97.94 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.934 -2.528 . . . . 0.0 110.934 0.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.98 121.3 6.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 7.2 mt -89.9 139.75 27.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.178 . . . . 0.0 109.227 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.449 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.1 Cg_endo -75.0 55.15 3.86 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.56 1.821 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 259' ' ' GLY . 1.8 t -59.77 -60.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . 0.42 ' N ' HG13 ' A' ' 258' ' ' VAL . . . -60.98 -42.8 99.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -64.36 -32.38 73.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . 0.693 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 9.0 mt -66.3 -46.12 87.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . 0.453 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 0.3 OUTLIER -67.17 -46.69 73.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.925 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -56.18 -40.13 73.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -65.37 -32.93 74.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.693 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 55.0 m0 -62.06 -47.81 83.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 107.991 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.487 ' CG2' ' CD1' ' A' ' 270' ' ' LEU . 79.4 mt -57.28 -47.21 84.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 173' ' ' SER . 0.4 OUTLIER -60.59 -29.1 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -56.46 13.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.478 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.04 -58.66 11.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.487 ' CD1' ' CG2' ' A' ' 266' ' ' ILE . 14.7 mt -44.93 -33.1 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -64.26 -45.22 89.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 269' ' ' GLY . 66.0 mttt -69.17 -37.61 78.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.7 -45.73 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 79.5 t -71.34 -41.35 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -58.06 -16.5 13.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.16 -28.68 14.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 0.73 ' CD2' ' CE2' ' A' ' 164' ' ' PHE . 7.7 t80 -103.38 17.36 24.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.155 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.91 116.49 48.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.359 1.103 0 O-C-N 124.545 1.813 . . . . 0.0 110.964 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.464 ' CG1' HG22 ' A' ' 34' ' ' ILE . 30.0 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.616 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -103.59 152.09 22.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.0 179.64 7.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.975 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.64 -57.46 18.8 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.41 -41.69 29.71 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -41.32 87.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.354 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 9' ' ' SER . 8.0 tp -65.05 -40.91 95.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -55.86 -31.58 62.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -44.86 29.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.629 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 42.1 t-105 -56.96 -63.69 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 107.98 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -53.69 -35.45 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -52.77 -55.42 22.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mt -54.06 142.7 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.629 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 5.6 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.459 0.171 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.466 ' HE2' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -143.29 163.29 33.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -60.96 -28.89 69.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -42.96 99.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.466 ' CE1' ' HE2' ' A' ' 30' ' ' LYS . 17.3 m80 -64.17 -36.32 83.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.464 HG22 ' CG1' ' A' ' 7' ' ' VAL . 7.1 mt -63.9 -50.21 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -49.44 -43.58 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -62.7 -40.6 97.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.4 -51.89 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.8 p -57.9 -34.89 70.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -60.75 -41.03 94.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.32 -34.97 79.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.233 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 77.1 mt -59.06 -49.33 78.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.96 -39.13 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.38 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -38.89 77.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -76.68 -0.39 23.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 70.01 46.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 9.9 p -124.9 149.4 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -65.13 135.2 96.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -18.96 18.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.78 -12.66 54.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.563 1.165 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.437 HD13 ' CD1' ' A' ' 60' ' ' ILE . 24.8 mt -73.51 -30.78 63.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 0.752 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' CD1' HD23 ' A' ' 85' ' ' LEU . 13.3 tp -78.51 -15.89 58.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -22.11 54.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.554 1.159 . . . . 0.0 110.378 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.96 150.39 48.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.446 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.517 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 11.1 t -64.79 -31.44 72.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.964 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 56' ' ' GLY . 12.7 pt-20 -63.07 -39.93 96.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.46 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -71.18 -40.41 61.46 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.431 1.082 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -44.0 94.41 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -34.58 73.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.08 -37.37 75.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.461 HG12 ' CD2' ' A' ' 41' ' ' LEU . 1.1 mp -70.99 -72.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.485 HD13 ' CZ ' ' A' ' 79' ' ' TYR . 10.6 tp -41.99 -38.01 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.51 -48.58 83.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.401 1.063 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.6 19.48 11.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 0.812 . . . . 0.0 110.359 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 79' ' ' TYR . 14.6 tp -104.13 -27.54 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.606 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.6 tm0? -51.94 -45.44 92.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.02 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.42 1.747 . . . . 0.0 111.012 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLY . 18.5 m -68.73 -12.03 60.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.583 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.9 mt -71.02 -43.8 67.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -74.64 -6.9 51.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.77 -5.08 10.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.388 1.055 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -82.42 -99.42 0.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.7 p 169.19 -175.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.54 -41.23 98.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -47.12 58.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.72 -33.86 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.483 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -61.59 -40.29 94.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.5 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -65.47 -30.8 71.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -63.86 -41.34 97.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.583 ' CD2' HD13 ' A' ' 68' ' ' LEU . 1.6 t80 -62.33 -42.77 99.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.557 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.1 OUTLIER -58.38 -32.19 68.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.3 m -68.64 -48.7 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.456 HD13 ' CG2' ' A' ' 60' ' ' ILE . 19.1 mt -67.06 -32.1 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.559 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -60.43 -58.79 7.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.243 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.568 HG13 ' CE2' ' A' ' 29' ' ' TYR . 3.1 t -58.14 -42.48 83.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.577 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.52 -46.34 80.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -60.02 -32.96 71.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -70.74 -37.96 73.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 108.267 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.8 t -62.88 -32.71 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 22.7 m80 -67.8 -40.24 83.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.483 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 5.8 mm-40 -84.98 -20.11 31.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER 71.43 39.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.483 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.9 mp -75.89 141.78 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -64.43 107.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.406 ' CG2' ' SG ' ' A' ' 87' ' ' CYS . 12.0 m -135.54 174.3 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -144.38 -48.03 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.245 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.92 170.86 9.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.457 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 99.2 m -59.63 -46.2 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -58.19 -32.03 67.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -33.2 74.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 110.352 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -70.09 -39.86 75.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 2.0 mp -56.65 -45.99 81.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -73.14 -41.0 64.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.464 ' CG ' HG22 ' A' ' 92' ' ' ILE . 7.2 mptt -64.53 -62.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.559 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.5 pt -55.48 -28.25 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 5.7 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 151' ' ' THR . 1.3 tt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 159.88 54.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.032 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.93 14.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.561 1.822 . . . . 0.0 111.024 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.89 -37.37 87.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.472 HG23 ' CD1' ' A' ' 147' ' ' ILE . 0.6 OUTLIER -66.99 -36.01 81.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.413 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.489 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 23.7 mt -63.54 -43.05 98.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -37.45 85.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.06 75.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.565 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 63.7 t-105 -62.3 -43.76 98.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 108.042 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.499 ' CG2' ' OG1' ' A' ' 190' ' ' THR . 47.4 t -45.58 -43.49 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -70.27 -34.35 72.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 155' ' ' TRP . 92.4 t -63.71 -37.72 80.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.381 1.05 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 192' ' ' GLY . 25.1 t -67.89 -46.37 82.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -19.31 64.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.78 -38.5 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -127.81 -63.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.55 -48.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.85 60.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.22 170.76 4.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.029 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -19.19 17.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.767 . . . . 0.0 110.968 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -92.08 -1.57 57.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.095 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.402 ' C ' ' HD2' ' A' ' 170' ' ' PRO . 0.3 OUTLIER -102.68 -33.45 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.609 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.6 mm -51.49 -46.14 90.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.07 -35.49 3.06 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -33.77 75.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.526 ' CE2' HG22 ' A' ' 266' ' ' ILE . 2.3 t80 -68.41 -36.23 78.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.3 -41.66 96.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.114 . . . . 0.0 109.917 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.92 91.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.469 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -77.21 -10.01 59.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 9.0 t -111.19 13.74 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -42.17 103.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 40.75 66.01 0.94 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.91 -175.62 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.511 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 1.2 p -109.44 -177.25 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.575 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.2 Cg_endo -74.99 -36.75 2.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.565 1.824 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -70.01 -42.6 72.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 110.248 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . 0.444 ' OD2' ' CG1' ' A' ' 147' ' ' ILE . 0.0 OUTLIER -68.03 -48.99 64.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 60.7 mt -62.79 -39.48 94.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.67 -33.79 76.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.474 HG23 ' CD2' ' A' ' 152' ' ' LEU . 0.8 OUTLIER -60.6 -47.91 84.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.362 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.565 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 5.2 ttm -61.91 -46.24 90.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.84 -20.41 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -79.17 -41.78 27.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.499 ' OG1' ' CG2' ' A' ' 156' ' ' VAL . 2.0 t -78.23 0.1 26.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.443 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 192' ' ' GLY . 1.4 p -54.57 -167.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.419 ' N ' HG11 ' A' ' 191' ' ' VAL . . . -86.48 29.44 4.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.554 1.159 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . 56.65 27.58 55.24 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.401 ' O ' ' SD ' ' A' ' 198' ' ' MET . 0.8 OUTLIER -70.15 73.44 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 109.595 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -57.26 -43.66 83.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.67 77.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -60.61 -48.98 79.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.401 ' SD ' ' O ' ' A' ' 194' ' ' HIS . 0.0 OUTLIER -58.23 -33.5 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -62.97 -54.72 33.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 24.0 mtm -68.83 -29.01 67.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.468 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 35.6 tp -72.18 -36.42 69.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -64.94 -35.1 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.5 tt0 -67.9 -45.35 74.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.236 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.11 -49.47 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.82 -55.68 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -57.96 -32.55 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 0.7 OUTLIER -73.15 -29.71 63.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -64.95 -38.42 90.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.479 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -69.94 -50.35 42.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.74 -47.9 76.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . 0.422 ' OE2' ' CG ' ' A' ' 207' ' ' GLU . 3.0 mt-10 -67.08 -34.56 77.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -61.62 -65.29 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -56.09 -33.05 64.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -30.59 70.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . 0.528 ' O ' ' CG ' ' A' ' 230' ' ' GLU . 6.2 pt-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . 0.429 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.3 Cg_endo -74.97 143.26 28.95 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -85.16 169.34 13.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -44.22 -39.24 5.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -42.07 87.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . 0.429 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 10.2 m-20 -61.11 -39.44 89.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.473 ' CG1' ' CG2' ' A' ' 258' ' ' VAL . 3.8 mt -60.28 -33.05 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.99 -15.04 62.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 79.12 25.97 58.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.68 -38.29 13.99 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.462 0.742 . . . . 0.0 110.353 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 240' ' ' THR . . . . . 0.401 ' OG1' ' OD1' ' A' ' 235' ' ' ASP . 40.5 p -104.28 -0.7 27.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.93 141.92 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.6 OUTLIER -74.19 172.08 12.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.417 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.482 HD13 ' CG1' ' A' ' 247' ' ' ILE . 2.9 tm? -69.89 -57.75 4.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.54 -28.4 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.41 -48.81 54.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -67.33 -42.58 83.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.238 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.482 ' CG1' HD13 ' A' ' 243' ' ' LEU . 38.8 mm -48.92 -57.35 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -61.03 -45.44 96.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . 0.535 ' CD1' HD11 ' A' ' 256' ' ' ILE . 0.1 OUTLIER -56.05 -31.29 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 10.5 ttm -67.32 -40.96 86.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.9 p -107.05 22.32 16.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 255' ' ' PRO . 54.1 t-80 -86.85 170.04 12.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 109.57 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.446 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 6.1 m-20 -120.78 112.0 34.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.27 98.25 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.049 0.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.09 122.35 7.11 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . 0.535 HD11 ' CD1' ' A' ' 249' ' ' TRP . 6.8 mt -92.47 112.44 55.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.276 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.41 3.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.473 ' CG2' ' CG1' ' A' ' 236' ' ' ILE . 0.3 OUTLIER -64.91 -40.75 90.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.18 -40.21 98.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.46 -31.84 70.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 110.31 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . 0.571 HG22 ' CZ2' ' A' ' 265' ' ' TRP . 21.4 mt -63.31 -45.91 96.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . 0.575 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 34.4 t80 -73.34 -45.73 53.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.08 -37.26 69.09 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.586 1.179 . . . . 0.0 109.218 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.422 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -68.59 -34.37 75.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.571 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 52.6 m0 -62.2 -46.05 90.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 107.978 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.526 HG22 ' CE2' ' A' ' 172' ' ' PHE . 48.2 mt -56.95 -47.32 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.474 HD13 ' CD2' ' A' ' 172' ' ' PHE . 0.3 OUTLIER -60.07 -32.92 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -57.77 11.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.468 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.07 -58.75 11.37 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.517 ' CD1' ' CG2' ' A' ' 266' ' ' ILE . 12.8 mt -43.0 -34.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.11 -47.75 78.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 269' ' ' GLY . 3.5 tttt -66.71 -38.47 86.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 26.7 mt -62.28 -44.64 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 270' ' ' LEU . 97.3 t -64.38 -46.03 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.135 . . . . 0.0 109.216 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -60.89 -16.24 39.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.4 ttt -95.2 -37.9 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -95.67 16.95 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 12.3 p -72.04 152.69 92.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.47 1.774 . . . . 0.0 110.923 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.468 ' CG1' HG22 ' A' ' 34' ' ' ILE . 2.9 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.621 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.7 mt -106.08 160.5 15.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.33 179.93 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.023 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.11 -57.55 19.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.155 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.12 -39.5 23.26 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -39.59 81.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 31' ' ' LEU . 13.9 tp -69.92 -40.78 75.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -31.63 63.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -79.7 -42.06 25.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.738 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 31.5 t-105 -57.0 -62.37 1.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -56.43 -36.86 69.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -51.45 -48.43 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 2.5 mp -56.0 143.36 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.738 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 1.5 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.467 0.175 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -142.87 167.71 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -63.06 -27.47 69.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -45.84 92.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -63.18 -35.65 81.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.58 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.468 HG22 ' CG1' ' A' ' 7' ' ' VAL . 3.7 mt -62.88 -49.91 81.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.4 -41.4 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.472 ' CZ3' ' HA ' ' A' ' 78' ' ' LEU . 52.6 t90 -62.25 -37.67 86.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.003 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.471 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -58.83 -53.64 56.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.5 p -63.39 -34.77 78.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -60.52 -35.37 75.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 110.363 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.52 -34.33 69.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.47 ' CD1' HD22 ' A' ' 51' ' ' LEU . 6.7 mt -57.81 -50.86 71.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 5.8 pt-20 -62.34 -31.72 72.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -76.23 -12.92 60.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -98.93 -0.18 42.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 76.72 25.58 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.8 p -114.95 150.51 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.84 135.12 96.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -18.89 18.33 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.521 1.801 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.52 -13.64 51.39 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.5 mt -71.49 -16.75 62.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -85.76 -7.63 58.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -92.22 -21.68 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.24 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.1 p -125.43 147.58 49.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 110.42 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.571 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 15.5 t -70.11 -26.33 63.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -63.4 -50.16 70.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.466 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -67.87 -35.13 84.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.494 ' SG ' ' CG2' ' A' ' 82' ' ' ILE . 5.4 t -64.05 -41.82 97.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -59.84 -36.47 76.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -29.94 70.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 1.1 mp -73.9 -74.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 79' ' ' TYR . 13.6 tp -40.81 -36.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.88 -49.11 79.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.451 1.095 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -95.79 22.48 7.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.356 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 79' ' ' TYR . 14.8 tp -109.87 -26.95 9.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.598 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 5.7 tm0? -53.3 -45.1 98.57 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.08 -40.45 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.575 1.829 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 71' ' ' GLY . 44.1 m -68.7 -11.59 60.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.386 1.053 . . . . 0.0 110.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.595 HD11 ' CD2' ' A' ' 79' ' ' TYR . 6.2 mt -71.21 -43.22 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -73.5 -7.26 51.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.415 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 3.9 t -121.49 -4.73 9.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -78.8 -97.6 0.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.437 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 11.8 p 164.15 -172.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.508 0.769 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -43.2 99.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 8.3 pt-20 -72.64 -38.6 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 4.9 tt -65.84 -34.7 78.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.447 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -62.3 -49.05 77.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.66 -35.43 65.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.472 ' HA ' ' CZ3' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -60.79 -47.21 87.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.595 ' CD2' HD11 ' A' ' 68' ' ' LEU . 1.6 t80 -63.43 -41.12 98.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.496 ' CG ' ' CG2' ' A' ' 97' ' ' THR . 1.4 t-20 -61.67 -32.34 72.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.1 m -70.52 -47.13 61.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.404 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.494 ' CG2' ' SG ' ' A' ' 57' ' ' CYS . 72.8 mt -63.76 -42.5 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.112 . . . . 0.0 109.38 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.585 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -51.41 -53.47 36.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.56 HG11 ' CE2' ' A' ' 29' ' ' TYR . 3.8 t -58.9 -42.82 86.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.574 HD11 ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.52 -40.98 75.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.404 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 31.8 t80 -59.91 -39.66 86.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.417 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -67.97 -36.98 80.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 0.0 108.301 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.9 t -66.33 -41.88 89.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 20.7 m80 -55.89 -40.12 72.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.577 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.46 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 0.4 OUTLIER -89.22 -14.86 34.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.298 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.48 39.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.46 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.3 mp -75.81 140.97 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.31 94.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.465 HG23 ' CG1' ' A' ' 19' ' ' ILE . 15.7 m -111.03 172.76 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.09 -51.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.396 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.12 170.44 11.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.52 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 54.1 m -60.41 -45.65 92.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -31.29 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.59 -38.62 88.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -67.69 -37.63 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.478 ' CD1' ' OD1' ' A' ' 80' ' ' ASN . 2.0 mp -54.43 -48.26 71.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -73.42 -40.4 64.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.216 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -63.31 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.585 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -55.28 -27.7 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.424 ' CG2' HD11 ' A' ' 152' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.03 160.69 51.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.08 14.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -65.02 -39.74 93.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.17 . . . . 0.0 110.339 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.81 -38.29 64.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.535 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 27.4 mt -65.57 -33.17 75.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -48.55 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.33 -49.15 78.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.611 ' CZ2' ' O ' ' A' ' 187' ' ' MET . 3.2 t90 -61.61 -49.69 75.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.038 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.553 HG21 ' CE3' ' A' ' 155' ' ' TRP . 2.9 t -45.87 -44.22 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -60.22 -34.23 73.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 155' ' ' TRP . 96.9 t -72.04 -45.43 63.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 2.7 t -57.51 -44.61 85.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.613 1.196 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -36.16 68.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -55.53 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 11.3 mmtt -127.51 -52.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.96 -47.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.523 ' CE2' ' HA3' ' A' ' 193' ' ' GLY . 11.8 m-85 -143.27 124.52 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 177.99 171.38 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -19.44 17.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.545 1.813 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.07 0.05 55.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.407 ' C ' ' HD2' ' A' ' 170' ' ' PRO . 0.3 OUTLIER -103.72 -33.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.627 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 29.2 mm -53.09 -45.47 98.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -74.93 -37.65 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -31.72 72.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.599 ' CE2' ' SD ' ' A' ' 187' ' ' MET . 0.8 OUTLIER -64.85 -44.43 89.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.024 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 81.3 p -68.13 -31.05 70.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.72 91.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.398 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.22 -31.77 55.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 25.0 t -87.35 13.89 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.13 94.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 71.29 57.34 6.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.72 -175.82 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.555 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.5 OUTLIER -120.65 -174.61 0.3 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.555 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.4 Cg_endo -74.97 -41.99 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.15 -46.45 64.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -61.43 -49.22 77.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.77 -32.39 73.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 2.3 m-20 -62.0 -42.61 99.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -39.98 92.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.611 ' O ' ' CZ2' ' A' ' 155' ' ' TRP . 1.2 ttm -69.85 -45.95 66.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.472 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 0.3 OUTLIER -81.74 6.73 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 2.5 t30 -101.68 -46.36 4.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 191' ' ' VAL . 1.6 t -97.49 7.78 45.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.499 ' HA ' ' CZ2' ' A' ' 155' ' ' TRP . 1.7 p -51.39 -175.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -154.05 79.91 0.19 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . 0.523 ' HA3' ' CE2' ' A' ' 164' ' ' PHE . . . -135.92 -62.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 171.78 129.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.628 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -58.0 -42.15 84.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.83 -49.38 75.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.1 79.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.472 ' CE ' ' HG ' ' A' ' 188' ' ' LEU . 5.7 mmt -58.03 -33.42 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -71.85 -54.53 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -58.98 -33.06 70.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.473 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 3.1 tp -69.68 -37.99 76.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -57.53 -39.6 76.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -40.17 88.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.38 -36.2 78.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.472 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 201' ' ' LEU . 24.5 mt -69.85 -55.33 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -57.88 -42.78 85.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 109.372 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.76 -35.7 81.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -68.56 -27.57 66.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.474 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -69.14 -50.19 50.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.22 80.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -38.63 91.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -57.89 -62.33 1.89 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.27 -33.19 65.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -30.11 68.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.311 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . 0.427 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.3 Cg_endo -75.05 141.98 27.14 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . 0.427 ' CG ' ' OD1' ' A' ' 235' ' ' ASP . 13.8 ptt180 -85.8 171.25 11.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -46.02 -38.3 8.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 57.9 m -66.96 -36.18 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 1.7 m-20 -69.45 -48.04 62.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.409 ' HA ' ' NE2' ' A' ' 246' ' ' GLN . 12.1 mt -60.56 -18.47 16.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . 0.548 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . . . -75.39 -20.68 58.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.595 1.184 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 97.14 17.68 31.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.29 -38.22 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 24.2 m -114.58 -0.27 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 75.5 m -134.27 145.4 49.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.559 ' CG2' ' N ' ' A' ' 243' ' ' LEU . 0.4 OUTLIER -90.19 176.68 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.559 ' N ' ' CG2' ' A' ' 242' ' ' THR . 3.4 tm? -69.37 -51.62 34.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . 0.43 ' N ' HG23 ' A' ' 242' ' ' THR . 35.1 tt0 -50.8 -52.89 36.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -61.06 -31.08 70.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . 0.438 ' CD ' ' CG1' ' A' ' 258' ' ' VAL . 0.8 OUTLIER -69.18 -72.59 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.482 ' HA ' ' CE ' ' A' ' 250' ' ' MET . 0.6 OUTLIER -42.74 -33.91 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -61.84 -51.8 54.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . 0.401 ' HA ' ' CB ' ' A' ' 252' ' ' HIS . 0.8 OUTLIER -65.63 -33.35 75.69 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 250' ' ' MET . . . . . 0.482 ' CE ' ' HA ' ' A' ' 247' ' ' ILE . 0.9 OUTLIER -57.56 -35.78 70.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.7 p -118.06 22.12 12.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 83.1 t60 -79.94 170.13 16.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.488 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 1.9 m-20 -120.57 111.52 34.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -74.94 159.46 97.96 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.029 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -75.0 124.9 8.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 4.6 mt -101.53 136.42 19.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.5 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.0 Cg_endo -75.02 59.09 5.11 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.597 1.841 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.438 ' CG1' ' CD ' ' A' ' 246' ' ' GLN . 2.5 t -65.2 -68.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . 0.422 ' N ' HG13 ' A' ' 258' ' ' VAL . . . -63.31 -31.81 82.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.067 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.26 -36.14 76.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . 0.614 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 7.0 mt -63.65 -42.24 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . 0.566 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 0.4 OUTLIER -63.98 -39.36 93.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.074 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -62.34 -45.51 92.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.413 ' N ' ' HD2' ' A' ' 263' ' ' LYS . 0.2 OUTLIER -55.22 -36.47 66.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.311 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.614 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 46.5 m0 -61.95 -43.29 99.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.054 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.49 ' CG2' ' CD1' ' A' ' 270' ' ' LEU . 90.1 mt -57.81 -47.82 85.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -29.75 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -59.56 5.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.473 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.27 -58.86 10.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.509 ' CB ' ' CD1' ' A' ' 169' ' ' ILE . 11.4 mt -42.7 -35.93 1.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 0.737 . . . . 0.0 109.329 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.29 -47.35 82.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 269' ' ' GLY . 7.3 tptt -66.12 -37.56 86.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . 0.451 ' CD1' ' HA ' ' A' ' 270' ' ' LEU . 16.4 mt -62.39 -46.07 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 74.1 t -62.98 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -63.71 -16.33 60.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -92.21 -38.01 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' A' ' 277' ' ' TYR . 16.3 t80 -97.48 15.48 23.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.6 151.44 52.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.538 1.81 . . . . 0.0 110.995 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.467 ' CG1' HG22 ' A' ' 34' ' ' ILE . 2.9 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.605 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 10.7 mt -98.35 151.55 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.81 179.74 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.72 -57.67 18.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -41.07 27.37 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.49 -39.54 84.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.236 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.495 ' CB ' ' O ' ' A' ' 9' ' ' SER . 7.2 tp -66.87 -41.23 87.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 37.0 t0 -55.84 -32.04 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -44.92 35.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.605 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 53.3 t-105 -56.58 -61.38 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.91 -21.76 45.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 7.5 tttt -90.52 40.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.449 ' CD1' HG11 ' A' ' 84' ' ' VAL . 56.8 mt -141.46 145.88 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 16' ' ' TRP . 3.1 m-85 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.467 0.175 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -130.57 173.96 10.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' CD1' HD12 ' A' ' 13' ' ' LEU . 2.6 mm? -61.04 -28.04 68.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.61 -45.55 93.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -62.93 -35.68 80.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.574 1.171 . . . . 0.0 109.594 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.467 HG22 ' CG1' ' A' ' 7' ' ' VAL . 3.5 mt -62.56 -49.53 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -51.46 -43.3 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.409 ' CZ2' ' OE2' ' A' ' 40' ' ' GLU . 61.6 t90 -62.7 -40.72 98.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.434 ' CB ' HG21 ' A' ' 81' ' ' THR . . . -59.1 -53.0 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.204 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.33 -35.58 77.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.41 1.069 . . . . 0.0 109.977 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -41.08 95.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.409 ' OE2' ' CZ2' ' A' ' 36' ' ' TRP . 1.6 mt-10 -63.11 -37.5 87.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD2' HG12 ' A' ' 60' ' ' ILE . 17.8 mt -61.25 -45.09 95.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -56.89 -35.58 69.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -24.71 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -75.98 -3.95 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 77.62 22.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.0 p -116.59 147.42 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.95 138.13 97.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -18.69 18.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.11 -12.18 54.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.434 1.084 . . . . 0.0 111.006 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.447 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 23.5 mt -76.36 -17.56 59.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.796 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 8.1 tp -90.71 -4.79 56.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.03 -22.09 27.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.85 160.82 28.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.482 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.513 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 4.9 t -69.89 -32.6 71.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 110.034 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.13 -49.76 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.45 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -61.61 -41.54 99.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.08 -41.91 97.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -59.95 -41.74 92.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -38.86 91.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.382 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.459 HG12 ' CD2' ' A' ' 41' ' ' LEU . 1.1 mp -71.97 -73.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.484 HD13 ' CD2' ' A' ' 79' ' ' TYR . 11.6 tp -41.61 -37.62 1.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.23 -48.99 83.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.02 22.97 8.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD21 ' CD2' ' A' ' 79' ' ' TYR . 14.2 tp -108.71 -25.49 10.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.598 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 tm0? -53.51 -45.57 98.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.99 -39.93 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 71' ' ' GLY . 36.8 m -68.65 -12.06 60.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.029 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.7 mt -71.22 -43.74 66.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -7.0 51.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.457 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.9 t -119.97 -5.15 10.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.418 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.42 -99.04 0.4 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.3 p 168.37 -176.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -41.08 96.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -71.23 -46.91 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.4 tt -60.68 -34.14 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.488 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.37 -43.4 98.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.9 t -62.09 -30.73 71.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.423 HD23 ' CD1' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -65.75 -47.17 76.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.589 ' CD2' HD13 ' A' ' 68' ' ' LEU . 1.7 t80 -58.87 -42.87 90.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -57.02 -37.75 72.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.46 HG22 ' CH2' ' A' ' 16' ' ' TRP . 79.5 m -60.18 -48.0 83.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.423 ' CD1' HD23 ' A' ' 78' ' ' LEU . 5.1 mt -67.05 -37.9 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.563 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -57.28 -58.52 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 109.358 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.523 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 3.2 t -58.23 -42.3 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.57 ' CD1' ' CZ3' ' A' ' 16' ' ' TRP . 2.5 mp -56.98 -36.12 69.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -60.16 -53.26 59.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 111.054 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -33.11 72.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.0 t -66.16 -38.55 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.513 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 0.7 OUTLIER -57.82 -40.18 79.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.459 ' CB ' HD12 ' A' ' 92' ' ' ILE . 1.9 mm-40 -91.41 -8.45 47.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 64.27 43.32 4.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.459 HD12 ' CB ' ' A' ' 90' ' ' GLN . 2.2 mp -75.92 141.43 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -62.95 95.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.2 m -117.1 174.01 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -140.26 -58.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.475 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 3.6 p-10 -121.96 170.7 9.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.523 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 2.4 m -60.35 -44.41 95.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.433 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.475 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 0.3 OUTLIER -57.13 -32.95 66.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.45 -33.09 73.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.338 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -71.0 -39.73 72.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.64 -47.54 79.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.71 -41.22 65.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -63.03 -62.12 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.563 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.9 pt -55.83 -27.97 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 186' ' ' THR . 1.4 tt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.0 163.36 46.22 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -24.68 12.52 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.448 1.762 . . . . 0.0 111.054 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -61.13 -45.12 95.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.406 HG21 ' CD1' ' A' ' 147' ' ' ILE . 0.6 OUTLIER -70.14 -40.27 74.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.72 -33.97 76.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.32 -39.66 92.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.75 -46.44 82.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.524 ' CH2' ' CD2' ' A' ' 172' ' ' PHE . 1.3 t-105 -61.43 -48.62 80.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 108.007 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 53.3 t -47.25 -41.78 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -70.51 -32.13 69.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 155' ' ' TRP . 89.5 t -66.15 -45.11 91.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.416 HG23 ' NE1' ' A' ' 155' ' ' TRP . 16.9 t -70.18 -46.41 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -16.53 64.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.262 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -82.94 -51.39 7.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -124.49 -52.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.36 -48.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.523 ' CD2' ' HB1' ' A' ' 163' ' ' ALA . 17.8 p90 -150.01 113.26 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.421 ' N ' HG23 ' A' ' 274' ' ' VAL . 1.0 OUTLIER -170.76 171.17 2.73 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.969 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -18.65 18.51 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.06 1.61 55.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.487 ' CG2' ' CE1' ' A' ' 172' ' ' PHE . 0.3 OUTLIER -104.6 -34.19 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.639 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.0 mm -55.64 -44.79 99.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.03 -37.71 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -34.94 77.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.524 ' CD2' ' CH2' ' A' ' 155' ' ' TRP . 5.4 m-30 -64.87 -42.71 94.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.05 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.5 p -70.88 -31.06 67.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.999 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.47 93.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.3 -29.75 60.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 16.0 t -87.76 14.24 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.979 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -44.92 98.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 60.76 59.01 10.93 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.06 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -100.36 -177.82 3.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 0.726 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.568 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.2 OUTLIER -110.31 -173.89 0.28 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.5 Cg_endo -74.93 -41.81 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.441 1.758 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -70.15 -64.75 0.83 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -43.57 -39.21 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 263' ' ' LYS . 23.0 mt -66.88 -48.93 67.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -54.75 -36.18 64.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.469 HG23 ' CG2' ' A' ' 147' ' ' ILE . 0.7 OUTLIER -61.17 -44.23 97.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 110.358 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.505 ' HG2' ' CD2' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -62.58 -45.72 91.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.463 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 2.7 mp -56.65 -25.85 54.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -72.51 -47.7 46.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 191' ' ' VAL . 0.9 OUTLIER -64.82 -9.97 24.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 188' ' ' LEU . 0.7 OUTLIER -54.23 -168.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.431 ' N ' HG12 ' A' ' 191' ' ' VAL . . . -84.37 22.98 7.71 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . 57.97 27.94 60.23 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -69.52 74.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.625 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.53 -43.29 84.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.39 75.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -60.87 -48.7 80.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.463 ' CE ' ' HG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -57.99 -32.97 68.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.15 -55.13 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 31.4 mtm -61.82 -46.52 89.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.495 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 1.9 tp -62.8 -35.86 81.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -56.03 -40.64 73.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 1.7 tt0 -66.79 -37.15 84.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.6 -37.68 73.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.471 ' CG1' HD12 ' A' ' 201' ' ' LEU . 6.3 mt -70.34 -56.58 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.94 -42.98 86.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 48.4 tt0 -68.59 -29.3 67.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.21 -35.24 79.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.464 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -72.74 -50.11 26.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.604 1.19 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.12 75.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -69.08 -34.59 75.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -60.45 -65.2 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.037 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -56.3 -33.21 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.237 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -58.91 -34.7 71.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' A' ' 215' ' ' LEU . 2.0 pp . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . 0.473 ' CB ' ' CB ' ' A' ' 235' ' ' ASP . 18.2 Cg_endo -75.08 134.12 17.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -87.0 -172.49 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -52.78 -38.48 53.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.29 -47.58 76.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.946 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . 0.473 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.3 m-20 -59.61 -43.68 93.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.625 1.203 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.502 ' CG1' ' CG2' ' A' ' 258' ' ' VAL . 4.0 mt -60.39 -24.29 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . 0.488 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . . . -72.44 -22.92 61.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 100.44 16.89 25.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 10.2 t -82.56 -37.58 24.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 1.3 m -110.28 -2.94 16.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 3.3 t -136.56 147.85 47.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.93 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.445 HG21 ' CG ' ' A' ' 245' ' ' GLU . 1.8 t -93.6 -177.99 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.458 ' CD2' HD12 ' A' ' 247' ' ' ILE . 3.0 tm? -69.79 -56.0 8.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -47.1 -49.91 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . 0.445 ' CG ' HG21 ' A' ' 242' ' ' THR . 22.5 mt-10 -65.35 -31.37 72.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . 0.482 ' HG3' ' CG1' ' A' ' 258' ' ' VAL . 1.3 tp-100 -62.71 -63.89 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.458 HD12 ' CD2' ' A' ' 243' ' ' LEU . 1.0 OUTLIER -53.24 -41.22 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.22 -42.92 98.88 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.507 1.129 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -35.54 81.51 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 26.5 mtm -66.11 -28.24 68.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 73.8 p -118.45 21.93 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.544 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 20.6 t-80 -88.9 169.45 11.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.649 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.544 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 5.1 m-80 -120.28 112.01 34.79 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . 0.489 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.98 159.57 97.81 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.054 -2.478 . . . . 0.0 111.067 0.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -75.0 119.67 5.75 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.543 1.812 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 4.0 mt -95.83 122.74 57.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 261' ' ' ILE . 18.4 Cg_endo -74.98 53.92 3.47 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.408 1.741 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 259' ' ' GLY . 0.3 OUTLIER -65.97 -50.5 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . 0.514 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -66.67 -38.57 93.31 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -69.44 -31.92 70.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . 0.571 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 7.1 mt -63.13 -43.52 98.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . 0.544 ' CD2' ' HB3' ' A' ' 181' ' ' PRO . 0.2 OUTLIER -64.22 -44.13 92.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . 0.448 ' HB2' ' CD1' ' A' ' 184' ' ' LEU . 0.3 OUTLIER -60.92 -43.47 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -34.51 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.571 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 43.2 m0 -66.22 -43.04 87.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 108.017 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.473 ' CG2' HD13 ' A' ' 270' ' ' LEU . 66.7 mt -57.36 -47.97 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.59 -30.45 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -59.96 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.495 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.09 -57.8 15.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.546 ' CB ' ' CD1' ' A' ' 169' ' ' ILE . 13.3 mt -42.48 -36.31 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -63.91 -47.8 79.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 269' ' ' GLY . 15.4 tttp -64.23 -43.29 95.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 9.2 mt -58.94 -43.69 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 165' ' ' SER . 22.6 t -64.87 -46.0 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -16.35 20.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -96.94 -37.92 10.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.586 1.179 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.54 17.81 12.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.08 154.99 92.22 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.447 HG11 ' CG2' ' A' ' 34' ' ' ILE . 8.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.618 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 14.4 mt -108.66 150.03 28.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.65 179.44 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.53 -58.24 15.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.8 -41.23 29.07 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.453 ' OE1' ' CG1' ' A' ' 88' ' ' VAL . 4.5 mm-40 -59.62 -35.15 73.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' A' ' 9' ' ' SER . 3.9 tp -72.77 -34.37 66.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.96 -31.73 67.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -77.14 -46.07 24.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.618 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 64.1 t-105 -58.37 -38.27 76.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.055 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -71.5 -25.59 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -87.63 47.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mm -132.59 133.82 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CG ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.49 0.186 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -138.2 171.0 15.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.1 mm? -62.05 -26.5 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -61.7 -43.07 99.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -65.81 -35.95 82.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.447 ' CG2' HG11 ' A' ' 7' ' ' VAL . 5.0 mt -64.11 -50.57 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -51.21 -44.42 29.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -62.67 -39.83 95.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.632 1.207 . . . . 0.0 107.958 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.28 74.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -34.74 78.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.085 . . . . 0.0 109.973 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -41.25 94.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -34.9 79.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.471 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 76.5 mt -60.95 -47.79 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.218 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -39.71 75.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.441 1.088 . . . . 0.0 110.245 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.3 -37.95 76.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -76.02 -4.4 41.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 74.53 44.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.358 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 9.9 p -124.88 150.07 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.18 132.25 95.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -18.84 18.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.537 1.809 . . . . 0.0 111.052 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.34 -11.48 56.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 mt -72.53 -32.53 66.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 tp -78.88 -16.59 56.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.96 -22.03 58.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.0 p -125.85 157.32 37.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.416 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.561 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 6.9 t -70.12 -30.77 68.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.07 -45.38 93.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.463 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -68.43 -36.66 84.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.8 -41.45 97.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -41.3 91.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -36.36 83.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.47 ' CG2' HD11 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -71.99 -73.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.228 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.548 HD13 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -45.45 -32.94 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.368 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.24 -49.01 78.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -98.32 22.05 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.37 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.504 HD22 ' CD2' ' A' ' 79' ' ' TYR . 14.1 tp -110.38 -23.87 10.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.603 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 7.9 tm0? -53.95 -45.18 99.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.324 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.96 -39.86 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.491 ' HA ' ' CG2' ' A' ' 70' ' ' THR . 48.8 m -67.93 -11.17 58.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 79' ' ' TYR . 9.1 mt -68.78 -46.36 68.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -75.81 -6.73 52.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.491 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 1.2 t -114.86 -7.68 12.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 110.483 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' ' 75' ' ' LEU . . . -83.51 -99.45 0.56 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.427 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.7 p 167.18 -173.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.72 -41.98 96.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -72.04 -47.5 51.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.504 ' CD1' ' HA3' ' A' ' 71' ' ' GLY . 0.9 OUTLIER -59.31 -33.51 71.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.506 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 1.8 ttp180 -62.56 -45.24 93.84 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.57 1.169 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -31.98 67.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.48 ' CD1' HD23 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -65.17 -47.09 78.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.394 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' HD12 ' A' ' 68' ' ' LEU . 2.1 t80 -64.75 -43.43 93.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.494 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 1.5 t-20 -57.51 -30.66 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.4 m -69.41 -48.13 61.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.364 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.47 HD11 ' CG2' ' A' ' 60' ' ' ILE . 10.6 mt -65.76 -34.7 72.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.515 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -55.28 -58.77 6.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.505 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.6 t -58.17 -41.07 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.57 HD11 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.64 -39.05 73.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.367 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -61.72 -52.45 64.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -35.46 73.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 108.3 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.453 ' CG1' ' OE1' ' A' ' 12' ' ' GLU . 4.3 t -63.33 -40.44 89.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 54' ' ' SER . 44.7 m-70 -56.31 -40.27 74.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.54 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.456 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 6.3 mm-40 -91.16 -9.2 46.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.358 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 64.89 43.75 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.456 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.0 mp -76.04 141.45 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.74 92.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.8 m -111.38 173.42 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -137.25 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -123.01 171.3 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.505 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 57.9 m -58.86 -48.7 80.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -32.11 67.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -68.61 -34.46 75.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.513 ' O ' ' CG2' ' A' ' 104' ' ' ILE . . . -71.17 -38.52 72.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.494 ' CD1' ' OD1' ' A' ' 80' ' ' ASN . 0.5 OUTLIER -56.2 -52.09 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -70.57 -41.05 72.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -61.25 -61.83 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.515 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 2.3 pt -56.14 -27.71 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.47 HG21 ' CG2' ' A' ' 186' ' ' THR . 2.2 tt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.32 164.56 40.34 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -25.09 12.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -64.52 -36.98 85.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.462 HG23 ' CD1' ' A' ' 147' ' ' ILE . 0.4 OUTLIER -71.43 -44.42 64.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.476 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 18.9 mt -58.73 -41.19 85.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -68.24 -36.43 79.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.48 73.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.597 ' CZ2' ' CG2' ' A' ' 159' ' ' VAL . 25.9 t-105 -62.76 -48.57 78.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 107.965 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 41.4 t -44.87 -43.13 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -38.73 92.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.403 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 155' ' ' TRP . 71.8 t -63.97 -45.16 97.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.597 ' CG2' ' CZ2' ' A' ' 155' ' ' TRP . 22.7 t -64.04 -42.32 95.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -64.93 -38.03 89.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -57.88 10.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.521 ' O ' ' CG2' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -160.69 64.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 162' ' ' LYS . . . -35.98 -46.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 164' ' ' PHE . 20.1 p90 -113.69 105.55 13.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 274' ' ' VAL . 1.4 p -174.06 164.69 2.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.32 18.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.12 3.52 51.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 162' ' ' LYS . 0.3 OUTLIER -106.18 -33.37 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 4.9 mm -60.21 -43.59 94.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.03 -36.0 2.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.432 ' CE ' HG21 ' A' ' 158' ' ' VAL . 5.8 mmm -61.85 -42.09 98.62 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.576 1.172 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.577 ' CZ ' HG22 ' A' ' 266' ' ' ILE . 1.5 t80 -57.48 -44.45 84.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 53.2 p -59.84 -34.68 73.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.85 90.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.354 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.32 -21.0 54.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.6 p -87.83 13.74 10.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.74 102.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.356 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 42.29 70.96 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.66 -175.46 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.506 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 1.3 p -117.65 -176.92 0.41 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.571 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.3 Cg_endo -75.06 -44.27 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -69.88 -51.77 30.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.36 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.99 -48.97 72.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.428 ' CG ' ' O ' ' A' ' 180' ' ' THR . 82.4 mt -66.49 -39.89 88.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.58 1.175 . . . . 0.0 109.226 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -54.98 -33.43 62.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.47 ' CG2' HG21 ' A' ' 147' ' ' ILE . 0.3 OUTLIER -73.31 -37.46 66.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.553 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 1.0 OUTLIER -61.47 -43.4 98.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.959 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 266' ' ' ILE . 53.3 mt -84.41 -24.08 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -53.6 -43.27 68.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.483 ' O ' ' O ' ' A' ' 191' ' ' VAL . 9.9 t -95.75 -56.23 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.382 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.514 ' CG2' ' CE ' ' A' ' 198' ' ' MET . 0.3 OUTLIER 39.79 -163.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.506 ' C ' ' CG1' ' A' ' 159' ' ' VAL . . . -178.25 40.53 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . 0.456 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -120.76 30.03 5.65 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 1.3 t60 84.55 131.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 0.795 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -37.73 80.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.52 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . 0.474 ' HA ' ' CE ' ' A' ' 200' ' ' MET . . . -58.69 -49.76 76.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.514 ' CE ' ' CG2' ' A' ' 191' ' ' VAL . 0.3 OUTLIER -59.84 -33.04 71.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 0.0 111.025 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.31 -54.9 29.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 200' ' ' MET . . . . . 0.474 ' CE ' ' HA ' ' A' ' 197' ' ' ALA . 3.5 ptp -63.26 -28.34 69.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.458 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 3.2 tp -71.77 -43.11 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -61.76 -32.58 72.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -46.5 73.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.341 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.76 -40.16 84.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.412 HD12 ' CG1' ' A' ' 266' ' ' ILE . 13.6 mt -64.43 -55.35 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -58.99 -42.04 89.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.71 -29.47 70.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -62.41 -42.6 99.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.236 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.475 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -65.38 -47.76 75.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.97 74.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 21.6 t-105 -61.12 -51.56 68.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -38.07 73.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -59.65 -41.58 90.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.314 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 232' ' ' ARG . 1.2 mt-10 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . 0.433 ' CB ' ' CB ' ' A' ' 235' ' ' ASP . 18.4 Cg_endo -74.97 120.07 5.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.491 1.784 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 235' ' ' ASP . 0.1 OUTLIER -85.75 174.37 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . 0.515 ' HA2' ' CZ2' ' A' ' 265' ' ' TRP . . . -37.06 -38.7 0.36 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.38 -52.3 64.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 110.049 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . 0.433 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.0 OUTLIER -61.76 -48.37 81.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.529 HG22 ' CH2' ' A' ' 265' ' ' TRP . 20.2 mt -61.79 -14.67 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -83.2 -22.79 33.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 98.02 18.59 26.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 2.2 t -89.12 -37.68 14.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.395 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 23.9 m -105.86 -0.3 25.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 14.3 t -144.1 155.65 44.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -96.14 174.79 6.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.566 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 3.1 tm? -59.38 -54.7 43.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -52.14 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.26 -32.4 72.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.11 -69.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.566 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 0.7 OUTLIER -46.68 -38.57 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.24 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.59 -51.95 55.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . 0.417 ' CD1' HD11 ' A' ' 256' ' ' ILE . 0.8 OUTLIER -63.44 -31.41 72.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 7.7 mtm -66.02 -30.51 71.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.8 p -116.87 22.18 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 255' ' ' PRO . 57.6 t60 -84.41 172.4 11.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.574 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 9.4 m120 -120.37 112.79 34.11 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.108 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.5 Cg_endo -74.98 159.2 98.36 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.043 -0.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -74.94 121.2 6.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.558 1.82 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 249' ' ' TRP . 7.6 mt -88.17 132.94 38.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.408 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.1 Cg_endo -75.03 55.58 4.0 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.47 ' CG2' HG12 ' A' ' 236' ' ' ILE . 2.2 t -64.45 -62.77 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 258' ' ' VAL . . . -61.03 -35.95 91.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -32.37 71.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . 0.571 HG23 ' CZ2' ' A' ' 265' ' ' TRP . 8.7 mt -71.51 -45.81 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 0.9 OUTLIER -63.83 -48.1 78.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -55.96 -31.56 63.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -68.0 -35.11 77.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.571 ' CZ2' HG23 ' A' ' 261' ' ' ILE . 36.4 m0 -61.99 -47.31 85.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 108.008 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.577 HG22 ' CZ ' ' A' ' 172' ' ' PHE . 58.4 mt -57.1 -46.68 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.493 HD12 ' CD2' ' A' ' 172' ' ' PHE . 0.2 OUTLIER -60.14 -31.15 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -56.58 19.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.458 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.49 -57.42 16.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 169' ' ' ILE . 12.5 mt -44.48 -35.42 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -62.88 -45.06 94.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 269' ' ' GLY . 1.3 ttmp? -69.01 -37.47 78.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.403 1.064 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 48.8 mt -62.29 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 165' ' ' SER . 55.1 t -71.21 -37.01 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -68.46 -16.26 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -37.79 18.19 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.88 15.2 29.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 77.9 p -71.93 113.76 23.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.465 HG12 ' CG2' ' A' ' 34' ' ' ILE . 4.7 t . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.608 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.4 mt -106.26 158.31 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.92 -179.87 7.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.0 -57.72 18.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.72 -39.37 21.32 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' A' ' 89' ' ' HIS . 1.3 mt-10 -58.87 -40.93 85.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 0.77 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' CD2' HD11 ' A' ' 31' ' ' LEU . 6.1 tp -70.27 -35.47 73.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -33.89 76.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.42 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -76.15 -45.85 31.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.276 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.608 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 12.9 t-105 -56.64 -51.96 66.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.038 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.64 -24.71 65.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -13.53 60.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.454 HG13 ' CG1' ' A' ' 84' ' ' VAL . 25.9 mm -65.73 142.3 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.475 0.179 . . . . 0.0 111.017 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -142.31 174.57 10.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.45 HD11 ' CD2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.43 -26.16 67.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -45.68 92.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -35.86 82.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.651 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.465 ' CG2' HG12 ' A' ' 7' ' ' VAL . 4.1 mt -63.73 -50.57 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.46 -42.63 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -62.51 -41.58 98.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.475 ' CB ' HG21 ' A' ' 81' ' ' THR . . . -59.23 -50.63 73.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -34.83 77.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 2.0 mtp180 -60.77 -35.92 77.64 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.5 ' OE2' ' CZ ' ' A' ' 43' ' ' ARG . 17.8 mm-40 -71.2 -34.83 71.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 96.0 mt -61.03 -50.11 74.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 9.2 pt-20 -61.97 -31.97 72.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.218 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.5 ' CZ ' ' OE2' ' A' ' 40' ' ' GLU . 11.7 mtp180 -62.85 -38.71 91.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 46.6 t80 -79.08 -2.58 41.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 73.76 48.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 5.6 p -125.04 150.0 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.066 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.65 131.24 95.07 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.84 18.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.74 -13.06 55.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.431 1.082 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.2 mt -74.19 -29.28 61.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 0.0 109.236 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 85' ' ' LEU . 9.3 tp -79.61 -14.06 59.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.08 -22.04 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.89 152.56 45.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.579 1.174 . . . . 0.0 110.39 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.508 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 5.1 p -70.04 -28.38 65.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.973 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -63.3 -49.98 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.457 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -70.35 -34.93 68.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -42.79 97.42 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -59.91 -43.04 95.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -58.77 -40.59 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 1.1 mp -67.7 -69.8 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 79' ' ' TYR . 14.6 tp -43.46 -34.3 1.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.09 -49.13 59.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -91.01 19.92 5.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 110.314 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.501 HD23 ' CD2' ' A' ' 79' ' ' TYR . 15.5 tp -111.56 -27.06 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.605 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -53.03 -45.11 98.35 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.234 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.91 -40.38 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -68.17 -12.1 60.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.942 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.6 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.6 mt -71.08 -44.12 66.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -7.15 51.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.445 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 3.0 t -120.16 -5.54 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.29 -98.78 0.39 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.49 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 33.7 p 166.42 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.04 -41.07 86.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -46.61 60.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.4 ' CD2' HD22 ' A' ' 68' ' ' LEU . 6.7 tt -59.74 -34.38 72.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.267 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.456 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 12.0 ttt180 -61.08 -48.94 79.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -35.88 65.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.953 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.427 HD11 ' CD1' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -61.2 -47.32 86.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.6 ' CD2' HD13 ' A' ' 68' ' ' LEU . 1.7 t80 -63.07 -43.36 98.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.483 ' CG ' ' CG2' ' A' ' 97' ' ' THR . 1.7 t-20 -56.21 -33.52 65.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.475 HG21 ' CB ' ' A' ' 37' ' ' ALA . 20.4 m -70.72 -44.84 66.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.443 HD11 ' CG2' ' A' ' 60' ' ' ILE . 21.7 mt -63.77 -39.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.559 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -57.92 -54.85 42.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.533 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 11.0 t -58.32 -44.45 88.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.54 HD13 ' CZ3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.9 -41.22 77.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 61.3 t80 -67.67 -49.58 62.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.513 ' HB2' ' CG1' ' A' ' 92' ' ' ILE . 4.4 p -60.12 -32.17 70.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.86 -46.72 95.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.508 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 20.7 t-80 -71.78 -23.76 61.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.52 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 4.9 tp-100 -85.08 -20.71 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 73.5 42.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.52 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 4.9 mm -76.18 141.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -75.93 70.82 2.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.1 m -110.97 173.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -135.06 -54.87 0.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.0 170.88 7.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.533 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 54.1 m -60.6 -44.52 96.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -61.16 -31.14 70.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -32.0 72.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -68.55 -47.67 66.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 2.1 mp -56.21 -37.66 69.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -73.06 -47.03 48.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -58.9 4.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.559 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.5 pt -54.7 -27.98 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 1.3 tm-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.468 ' CD1' HG21 ' A' ' 151' ' ' THR . 1.1 tt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.73 159.77 54.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.8 14.42 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -64.72 -37.25 86.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.468 HG21 ' CD1' ' A' ' 147' ' ' ILE . 0.7 OUTLIER -69.06 -33.71 74.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.495 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 25.5 mt -69.39 -40.59 77.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.4 -35.27 73.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.44 -49.26 64.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.56 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 26.5 t-105 -62.37 -48.21 80.79 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 37.8 t -50.91 -43.38 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -61.03 -31.82 71.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.468 HG22 ' CE ' ' A' ' 171' ' ' MET . 52.9 t -75.52 -40.56 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 192' ' ' GLY . 13.0 t -64.77 -38.69 83.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.22 -30.61 48.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -88.77 3.42 51.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 8.9 mttt -161.39 -72.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.97 -48.25 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 277' ' ' TYR . 34.0 p90 -156.21 121.15 4.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.65 170.23 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -19.04 18.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.423 1.749 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -93.88 0.64 56.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.408 ' N ' ' HD2' ' A' ' 170' ' ' PRO . 0.3 OUTLIER -104.25 -33.97 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 22.9 mm -53.93 -45.07 99.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.204 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.01 -35.48 3.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.468 ' CE ' HG22 ' A' ' 158' ' ' VAL . 0.8 OUTLIER -62.22 -38.48 89.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.572 ' CZ ' HG22 ' A' ' 266' ' ' ILE . 3.7 t80 -62.98 -44.19 96.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -38.42 75.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.9 90.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 187' ' ' MET . 0.1 OUTLIER -77.12 -11.56 59.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.6 p -102.84 14.11 32.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.965 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 178' ' ' GLY . 3.2 tt0 -42.94 100.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.12 70.08 0.26 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.76 -177.11 3.27 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.443 0.731 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.573 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.6 OUTLIER -110.25 -173.0 0.24 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.132 . . . . 0.0 110.442 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -74.98 -41.82 0.61 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.562 1.822 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -70.16 -43.71 70.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.38 -49.23 74.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 38.6 mt -64.25 -41.43 96.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -57.73 -38.01 74.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.469 ' CG2' ' CD1' ' A' ' 152' ' ' LEU . 1.0 OUTLIER -60.73 -46.99 88.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 0.0 110.408 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.56 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.4 OUTLIER -66.22 -45.41 80.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.438 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 1.1 mp -69.23 -10.14 56.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -88.33 -29.87 20.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.467 ' CG2' HG21 ' A' ' 156' ' ' VAL . 6.6 t -92.76 -5.45 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.45 HG11 ' CE ' ' A' ' 198' ' ' MET . 1.0 OUTLIER -52.61 -175.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.414 ' N ' HG13 ' A' ' 191' ' ' VAL . . . -171.98 54.08 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -106.88 26.52 19.12 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 80.1 151.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.59 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -70.82 -37.87 73.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.15 76.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.01 -49.91 76.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.45 ' CE ' HG11 ' A' ' 191' ' ' VAL . 1.7 mmt -58.01 -33.37 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -60.03 -52.08 66.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.9 mtp -66.93 -29.33 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.475 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 12.3 tp -62.37 -42.82 99.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 0.0 OUTLIER -68.36 -29.1 67.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 2.7 tt0 -66.72 -46.54 75.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.233 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -48.87 43.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 12.9 mt -58.33 -55.62 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 49.4 t-20 -57.64 -37.72 73.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 23.1 mt-10 -66.59 -29.51 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -44.24 96.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.481 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -65.39 -45.03 85.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -53.98 -46.5 71.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -60.87 -33.41 73.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . 0.51 ' CZ3' HD13 ' A' ' 215' ' ' LEU . 0.0 OUTLIER -57.17 -66.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -58.01 -32.45 67.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -58.24 -35.66 72.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . 0.51 HD13 ' CZ3' ' A' ' 212' ' ' TRP . 1.8 pp . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . 0.487 ' CB ' HG22 ' A' ' 256' ' ' ILE . 18.5 Cg_endo -75.05 74.06 4.15 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 235' ' ' ASP . 18.9 ptt85 -86.63 151.48 23.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . 0.482 ' HA2' ' CZ2' ' A' ' 265' ' ' TRP . . . -35.06 -39.49 0.18 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 234' ' ' SER . . . . . 0.417 ' HB2' ' NH1' ' A' ' 232' ' ' ARG . 0.1 OUTLIER -64.74 -53.07 52.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.988 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 232' ' ' ARG . 0.5 OUTLIER -59.76 -48.02 83.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 258' ' ' VAL . 44.7 mt -59.95 -17.32 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -78.74 -22.61 46.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 96.64 19.53 27.02 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.26 -38.24 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 11.2 m -106.68 -1.04 23.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 32.7 t -144.27 148.8 35.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.463 HG21 ' CG ' ' A' ' 245' ' ' GLU . 1.9 t -90.81 -177.14 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.41 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.528 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 2.6 tm? -69.43 -58.78 3.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -47.81 -54.15 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . 0.463 ' CG ' HG21 ' A' ' 242' ' ' THR . 30.8 mt-10 -62.1 -31.43 71.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -65.06 -68.48 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.36 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.528 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 0.8 OUTLIER -41.14 -38.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -61.75 -45.44 96.24 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . 0.464 ' N ' ' O ' ' A' ' 246' ' ' GLN . 0.1 OUTLIER -58.85 -40.12 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 12.8 mtm -58.75 -31.49 68.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 31.6 m -118.01 22.45 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 255' ' ' PRO . 44.6 t-80 -82.29 171.27 14.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 9.4 t30 -121.22 111.29 33.79 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . 0.467 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.2 Cg_endo -75.07 158.95 98.61 Favored 'Cis proline' 0 C--N 1.361 1.221 0 C-N-CA 120.948 -2.521 . . . . 0.0 110.99 -0.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.483 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.94 119.66 5.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . 0.487 HG22 ' CB ' ' A' ' 231' ' ' PRO . 7.1 mt -93.61 134.44 26.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 256' ' ' ILE . 18.4 Cg_endo -75.01 55.61 4.01 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.466 ' CG2' HG12 ' A' ' 236' ' ' ILE . 2.0 t -59.09 -62.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 263' ' ' LYS . . . -61.21 -41.71 99.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . 0.539 ' HA ' ' CG ' ' A' ' 263' ' ' LYS . 2.5 tt0 -63.66 -31.72 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . 0.593 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 10.6 mt -71.67 -45.51 66.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . 0.502 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 0.9 OUTLIER -63.42 -54.25 39.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . 0.539 ' CG ' ' HA ' ' A' ' 260' ' ' GLU . 0.0 OUTLIER -55.72 -31.37 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.417 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 2.9 mtt85 -66.81 -35.13 79.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.357 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.593 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 40.6 m0 -62.76 -45.4 92.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.572 HG22 ' CZ ' ' A' ' 172' ' ' PHE . 69.1 mt -57.19 -47.87 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.522 HD12 ' CD2' ' A' ' 172' ' ' PHE . 0.4 OUTLIER -60.42 -34.41 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -55.44 31.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.475 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -61.87 -61.33 6.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.542 ' CB ' ' CD1' ' A' ' 169' ' ' ILE . 12.0 mt -43.35 -32.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.54 -47.45 81.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.8 OUTLIER -69.27 -37.71 78.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . 0.406 HD11 ' CD1' ' A' ' 201' ' ' LEU . 94.4 mt -61.08 -45.05 99.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 74.6 t -69.37 -45.66 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -16.33 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 3.9 ttt -95.93 -37.84 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 164' ' ' PHE . 5.9 m-85 -96.32 16.33 18.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.53 150.27 79.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.997 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.465 ' CG1' HG22 ' A' ' 34' ' ' ILE . 2.8 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.621 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.3 mt -106.67 155.01 20.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -86.28 179.78 6.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.58 1.175 . . . . 0.0 109.985 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.26 -57.5 19.39 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.552 1.157 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.16 -40.56 24.15 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -39.85 83.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 0.803 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.475 HD12 ' CD1' ' A' ' 31' ' ' LEU . 6.9 tp -68.03 -41.77 81.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -31.83 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.418 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -77.74 -43.76 29.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.701 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 33.8 t-105 -56.76 -62.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -50.46 -32.69 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.368 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -46.49 75.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.455 ' CG1' HG23 ' A' ' 94' ' ' VAL . 3.3 mp -58.17 146.19 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.701 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.467 0.175 . . . . 0.0 111.1 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.92 173.36 11.62 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.475 ' CD1' HD12 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -62.64 -27.89 69.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -61.59 -46.1 91.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -62.8 -35.78 80.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.408 1.068 . . . . 0.0 109.568 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.465 HG22 ' CG1' ' A' ' 7' ' ' VAL . 3.5 mt -62.86 -49.78 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.13 -42.92 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -62.65 -41.17 98.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 108.012 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.27 -53.05 62.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 p -59.68 -36.84 77.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -60.89 -40.17 92.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.452 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 15.9 tm-20 -63.13 -34.32 77.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 9.2 mt -68.38 -31.55 71.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.53 -42.58 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -74.42 -19.82 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.413 ' CD2' ' OE2' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -79.75 -4.75 53.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 71.12 35.21 1.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 7.3 p -124.97 150.21 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -64.36 129.23 94.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.243 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -18.93 18.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.82 -11.29 57.53 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.046 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 29.5 mt -72.47 -32.31 66.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tp -72.71 -21.05 61.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.368 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -21.8 63.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.9 p -125.53 154.31 42.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.567 ' HA ' ' CE1' ' A' ' 89' ' ' HIS . 9.8 p -70.08 -28.95 65.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.95 -38.59 76.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.466 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -70.94 -43.18 58.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.419 1.074 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.9 p -66.73 -35.79 80.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -59.77 -38.33 81.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -68.67 -33.57 74.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 1.2 mp -71.47 -72.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.496 HD11 ' CD2' ' A' ' 79' ' ' TYR . 12.1 tp -41.89 -35.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.69 -48.85 81.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.425 1.078 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -96.2 22.01 8.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 110.335 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' A' ' 79' ' ' TYR . 16.3 tp -109.76 -25.61 10.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.603 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -53.99 -45.07 99.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.01 -40.39 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.569 1.826 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 71' ' ' GLY . 1.9 m -68.65 -11.8 60.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.4 mt -70.98 -43.87 67.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -74.36 -7.09 51.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.78 -5.46 10.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.384 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -80.69 -98.53 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.587 1.18 . . . . 0.0 111.013 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 16.3 p 167.84 -176.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.72 -40.95 96.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.34 -47.06 58.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.443 ' CD2' HD23 ' A' ' 68' ' ' LEU . 6.9 tt -60.9 -34.37 74.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.332 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.484 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 54.3 ttm-85 -61.34 -42.51 98.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -62.92 -30.56 71.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.476 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -65.61 -47.36 75.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.573 ' CD2' HD13 ' A' ' 68' ' ' LEU . 1.9 t80 -58.69 -43.42 89.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -58.35 -32.24 68.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -64.78 -48.12 75.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.421 HD12 ' CG2' ' A' ' 60' ' ' ILE . 5.4 mt -68.37 -37.64 78.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.563 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -55.23 -57.44 11.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.514 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.7 t -57.97 -41.05 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.57 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.74 -36.71 70.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -61.4 -51.5 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 0.5 OUTLIER -58.67 -34.45 71.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 108.263 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 t -64.53 -39.38 85.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' A' ' 54' ' ' SER . 29.7 m170 -56.79 -40.11 75.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.548 ' O ' ' HG2' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -96.43 11.89 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 44.95 42.54 6.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 110.386 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.525 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 3.1 mt -74.24 141.51 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.79 106.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.455 HG23 ' CG1' ' A' ' 19' ' ' ILE . 28.2 m -128.93 174.15 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.92 -49.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.67 170.75 13.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.514 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.4 m -60.05 -45.99 91.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.16 -31.64 63.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.29 -36.58 79.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.366 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -71.03 -39.27 72.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 2.4 mm? -56.44 -47.67 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -72.53 -41.78 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -62.71 -62.45 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.563 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.6 pt -56.39 -27.95 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.338 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.474 ' CD1' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.89 160.67 52.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.29 13.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -65.08 -37.33 87.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.474 HG22 ' CD1' ' A' ' 147' ' ' ILE . 0.6 OUTLIER -69.6 -38.44 77.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.381 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.47 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 19.1 mt -57.59 -43.23 84.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -67.33 -30.85 70.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -68.95 -49.2 60.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.572 ' CD1' ' HG3' ' A' ' 187' ' ' MET . 35.5 t-105 -62.42 -46.84 86.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 108.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 53.8 t -46.68 -41.69 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -69.24 -33.65 73.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.226 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 155' ' ' TRP . 86.1 t -66.47 -45.03 90.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.485 HG11 ' CA ' ' A' ' 192' ' ' GLY . 37.9 t -67.26 -46.71 83.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -67.52 -18.69 65.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.01 -40.53 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -125.16 -58.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.375 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.591 ' HB1' ' CD1' ' A' ' 164' ' ' PHE . . . 85.28 -48.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.591 ' CD1' ' HB1' ' A' ' 163' ' ' ALA . 7.7 p90 -158.26 85.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.081 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.79 170.65 10.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.23 18.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -97.26 7.7 46.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.431 ' CG2' HG12 ' A' ' 158' ' ' VAL . 0.4 OUTLIER -111.51 -34.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 3.2 mt -55.99 -46.98 99.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.2 Cg_endo -74.98 -37.03 2.22 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.51 ' HG3' ' N ' ' A' ' 172' ' ' PHE . 0.1 OUTLIER -62.61 -30.15 71.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.51 ' N ' ' HG3' ' A' ' 171' ' ' MET . 3.5 t80 -69.17 -44.46 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.9 p -59.78 -36.61 77.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.85 92.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.363 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.456 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.2 -9.99 59.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 177' ' ' GLU . 3.2 t -108.5 14.27 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.064 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 176' ' ' SER . 0.2 OUTLIER -37.88 107.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.99 71.22 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.95 -177.72 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.572 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.6 OUTLIER -115.85 -172.92 0.23 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -41.34 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -70.21 -40.38 74.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.71 -49.44 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.7 -32.37 73.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . 0.478 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 3.3 m-20 -63.41 -32.62 74.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.447 HG23 ' CD2' ' A' ' 152' ' ' LEU . 0.6 OUTLIER -69.6 -45.43 68.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.453 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.572 ' HG3' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -66.87 -43.44 83.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.042 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.462 HD21 ' CE ' ' A' ' 198' ' ' MET . 10.9 mt -81.73 -4.99 57.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 1.9 m-20 -77.69 -49.87 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.491 ' O ' ' O ' ' A' ' 191' ' ' VAL . 6.8 t -79.89 -58.09 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.532 ' CG1' ' N ' ' A' ' 192' ' ' GLY . 0.3 OUTLIER 38.57 -161.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.532 ' N ' ' CG1' ' A' ' 191' ' ' VAL . . . 173.77 37.84 0.04 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.55 1.156 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -115.94 25.66 9.32 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.505 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 5.3 m170 87.51 145.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 0.787 . . . . 0.0 109.579 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.35 -37.15 77.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.04 76.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -58.92 -49.5 77.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.469 ' HE1' ' CG2' ' A' ' 191' ' ' VAL . 1.1 mmt -58.07 -36.79 73.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -62.62 -53.86 48.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 42.3 mtm -58.77 -29.5 66.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.475 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 10.7 tp -63.05 -43.0 99.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.364 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 12.7 tttt -68.51 -28.85 67.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.2 tt0 -67.09 -45.11 78.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -49.35 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 266' ' ' ILE . 18.4 mt -59.61 -55.4 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 57.6 t-20 -58.32 -36.25 73.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 1.7 tt0 -65.27 -29.74 70.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.398 1.062 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -31.3 69.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.482 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -69.1 -49.68 54.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.25 -48.08 74.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -66.77 -36.81 83.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . 0.565 ' CZ3' HD13 ' A' ' 215' ' ' LEU . 45.3 t-105 -59.09 -63.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 107.969 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -55.92 -33.01 64.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.384 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 14.4 ttt85 -61.82 -29.45 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . 0.565 HD13 ' CZ3' ' A' ' 212' ' ' TRP . 2.6 pp . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . 0.425 ' CB ' ' CB ' ' A' ' 235' ' ' ASP . 18.2 Cg_endo -75.03 129.1 12.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.85 -147.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . 0.579 ' HA2' ' CH2' ' A' ' 265' ' ' TRP . . . -71.71 -38.06 61.23 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.59 1.181 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 58.0 m -60.2 -45.6 92.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . 0.425 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.0 OUTLIER -74.55 -47.77 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.564 HG23 ' CZ3' ' A' ' 265' ' ' TRP . 89.3 mt -61.85 -14.13 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 233' ' ' GLY . . . -96.84 -0.82 47.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 1.075 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 71.47 19.72 77.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.413 1.071 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.45 -37.65 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.45 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 16.4 m -102.6 0.11 32.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 1.1 m -140.49 155.05 46.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.468 ' CG2' ' HG3' ' A' ' 244' ' ' GLN . 0.7 OUTLIER -79.26 176.49 9.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.546 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 3.2 tm? -62.64 -59.43 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 242' ' ' THR . 1.7 pt20 -58.47 -20.77 48.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -70.81 -48.92 51.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.284 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . 0.517 ' CD ' ' CG1' ' A' ' 258' ' ' VAL . 1.8 tt0 -69.57 -56.05 8.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.24 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.546 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 0.9 OUTLIER -51.1 -39.38 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.46 -51.57 57.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.08 -32.63 74.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.0 mtm -57.59 -33.44 68.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 30.6 m -118.25 22.58 12.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.575 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 53.4 t60 -75.87 170.65 15.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.575 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 7.9 m-80 -120.04 111.26 35.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.386 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.2 Cg_endo -75.09 159.54 97.78 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.965 0.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.497 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.99 120.04 5.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 4.9 mt -97.79 131.89 25.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.438 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.3 Cg_endo -74.98 54.66 3.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.517 ' CG1' ' CD ' ' A' ' 246' ' ' GLN . 1.5 t -64.4 -59.09 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.227 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . 0.409 ' N ' HG13 ' A' ' 258' ' ' VAL . . . -60.92 -41.7 99.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -32.0 72.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . 0.734 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 4.2 mt -65.78 -38.66 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -63.79 -45.63 88.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -57.08 -34.93 68.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 14.9 mtt180 -68.64 -40.5 80.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.734 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 50.1 m0 -61.83 -44.18 97.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.029 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.482 ' HA ' ' CD1' ' A' ' 205' ' ' ILE . 77.7 mt -57.41 -45.57 85.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -31.04 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -53.61 52.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.475 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -61.78 -54.59 34.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.417 ' CB ' HG12 ' A' ' 169' ' ' ILE . 11.6 mt -48.03 -33.26 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . 0.462 ' HA ' ' CD1' ' A' ' 169' ' ' ILE . 46.5 t30 -63.29 -45.02 93.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -37.53 77.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . 0.464 HD12 ' CD1' ' A' ' 201' ' ' LEU . 85.7 mt -62.75 -43.8 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 75.6 t -72.28 -38.36 61.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -16.2 62.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -37.91 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 0.561 ' HB3' ' CD2' ' A' ' 164' ' ' PHE . 2.1 m-85 -101.54 15.29 29.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.37 114.15 35.38 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.035 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.452 HG11 ' CG2' ' A' ' 34' ' ' ILE . 24.6 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.608 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.5 mt -105.31 147.02 28.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.5 179.36 7.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 109.997 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.06 -58.4 14.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.41 -40.4 33.2 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.462 ' OE1' ' CG1' ' A' ' 88' ' ' VAL . 4.1 mm-40 -61.07 -34.98 75.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.517 ' CB ' ' O ' ' A' ' 9' ' ' SER . 3.3 tp -69.74 -39.83 76.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -56.05 -32.31 63.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.47 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 1.2 mptt -73.94 -45.85 47.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.608 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 53.9 t-105 -58.53 -42.45 87.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.042 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.17 -14.28 60.93 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -90.13 33.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.471 ' CG1' HG23 ' A' ' 94' ' ' VAL . 1.7 mp -142.55 140.41 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.516 0.198 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.56 175.16 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.066 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.1 mm? -61.42 -29.23 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.535 ' HD2' ' CD2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -61.94 -40.04 94.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.535 ' CD2' ' HD2' ' A' ' 32' ' ' LYS . 59.5 m-70 -66.83 -35.99 81.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.605 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.452 ' CG2' HG11 ' A' ' 7' ' ' VAL . 6.4 mt -64.78 -49.94 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.09 -43.32 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 108.031 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.35 -51.01 71.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.411 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 3.7 p -58.44 -35.08 71.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -41.04 95.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.435 ' CB ' ' HG ' ' A' ' 78' ' ' LEU . 33.5 mm-40 -63.5 -34.75 78.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.471 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 20.9 mt -63.96 -31.69 72.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -69.08 -42.31 76.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -64.31 -23.17 67.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.41 ' N ' ' HG2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -86.38 -10.96 53.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 73.76 45.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 8.5 p -125.01 149.92 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.6 135.69 96.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.358 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -18.74 18.35 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.598 1.841 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.44 -14.31 48.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.3 mt -74.82 -31.73 61.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD1' ' CD2' ' A' ' 85' ' ' LEU . 6.7 tp -78.07 -2.26 36.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -91.99 -22.11 20.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.8 154.86 41.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.363 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.4 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -70.09 -29.43 66.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.99 -49.48 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.456 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -64.19 -41.63 98.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.57 1.169 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.87 -35.94 82.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -59.9 -40.16 87.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.17 -30.78 68.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.471 ' CG2' HD11 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -72.93 -73.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.069 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.55 HD11 ' CE1' ' A' ' 79' ' ' TYR . 11.6 tp -43.62 -35.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.39 -49.05 77.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.86 19.99 8.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.338 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 79' ' ' TYR . 19.8 tp -109.37 -24.86 10.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.602 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -53.76 -45.04 98.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.229 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.87 -40.61 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -68.33 -11.83 60.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.566 1.166 . . . . 0.0 109.968 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.586 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.2 mt -70.78 -44.16 67.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.2 -7.32 52.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.455 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.34 -5.91 10.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -80.7 -97.98 0.36 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.591 1.182 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 23.3 p 167.56 -176.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 0.759 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -61.38 -40.71 95.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -47.07 59.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.449 ' CD2' HD23 ' A' ' 68' ' ' LEU . 8.0 tt -60.77 -34.51 74.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 6.4 tpt180 -61.08 -44.66 97.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -60.82 -30.75 70.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.452 ' CD1' HD21 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -66.07 -47.35 74.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.586 ' CD2' HD13 ' A' ' 68' ' ' LEU . 1.3 t80 -58.16 -41.62 84.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -60.5 -35.22 75.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.0 m -62.41 -45.53 92.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.431 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.471 HD11 ' CG2' ' A' ' 60' ' ' ILE . 9.3 mt -72.02 -34.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.55 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -55.83 -60.07 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.51 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.5 t -58.59 -39.68 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.574 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.64 -39.88 74.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.42 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 44.9 t80 -59.92 -53.12 61.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -36.19 72.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.356 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.462 ' CG1' ' OE1' ' A' ' 12' ' ' GLU . 4.4 t -62.04 -41.24 90.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.24 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.4 ' ND1' ' HA ' ' A' ' 54' ' ' SER . 31.3 m170 -55.91 -40.21 72.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.578 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.465 ' CB ' HD12 ' A' ' 92' ' ' ILE . 0.6 OUTLIER -85.72 -20.09 29.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 78.98 41.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.465 HD12 ' CB ' ' A' ' 90' ' ' GLN . 1.3 mp -75.93 141.08 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -70.57 97.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.471 HG23 ' CG1' ' A' ' 19' ' ' ILE . 29.8 m -118.32 173.61 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.13 -45.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -132.82 170.92 14.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.51 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.2 m -60.16 -44.9 94.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' N ' ' OD2' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -55.26 -32.05 62.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -41.33 80.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.472 ' CB ' HG23 ' A' ' 84' ' ' VAL . . . -67.93 -37.86 82.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 0.8 OUTLIER -56.55 -46.2 80.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.68 -42.53 64.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -62.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.55 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.6 pt -56.04 -28.07 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.251 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.473 ' CD1' HG23 ' A' ' 151' ' ' THR . 1.3 tt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.1 160.76 51.36 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.053 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.28 14.03 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.504 1.792 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -65.64 -37.4 86.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.473 HG23 ' CD1' ' A' ' 147' ' ' ILE . 0.6 OUTLIER -66.1 -40.83 91.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.489 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 19.2 mt -58.76 -40.58 84.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.11 -41.86 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.01 79.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 109.337 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.556 ' CH2' ' HB2' ' A' ' 172' ' ' PHE . 40.5 t-105 -62.01 -46.49 88.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 40.3 t -45.25 -43.14 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -66.06 -37.84 86.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 155' ' ' TRP . 67.9 t -63.35 -44.53 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 192' ' ' GLY . 90.1 t -56.32 -46.6 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.86 -24.65 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.246 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.99 -52.8 10.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.521 ' O ' ' CG2' ' A' ' 168' ' ' VAL . 5.5 mttt -173.06 66.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.331 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' A' ' 162' ' ' LYS . . . -33.29 -45.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.506 ' CD1' ' CE2' ' A' ' 277' ' ' TYR . 1.3 p90 -117.95 126.41 52.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.492 ' HB2' ' HD2' ' A' ' 166' ' ' PRO . 4.0 p 178.69 170.35 0.51 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.945 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.2 Cg_endo -74.98 -36.11 2.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -88.92 9.28 25.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 162' ' ' LYS . 2.2 t -105.78 -34.28 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 0.0 OUTLIER -54.95 -45.43 99.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.08 -34.21 3.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -51.05 69.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.556 ' HB2' ' CH2' ' A' ' 155' ' ' TRP . 13.3 t80 -61.55 -44.22 97.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 11.1 p -58.54 -33.21 69.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.59 92.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.451 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -75.99 -10.17 59.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' SER . . . . . 0.437 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 3.0 t -106.97 14.26 26.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 176' ' ' SER . 4.3 mt-10 -37.62 109.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.313 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.6 66.85 0.52 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.85 -176.05 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.537 ' HB ' ' HD2' ' A' ' 181' ' ' PRO . 1.7 p -108.55 -176.55 0.41 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.55 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.4 Cg_endo -74.96 -42.44 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.457 1.767 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -49.55 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.257 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . 0.443 ' OD2' ' CG1' ' A' ' 147' ' ' ILE . 0.0 OUTLIER -58.5 -49.11 78.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.437 ' CD2' ' HB2' ' A' ' 176' ' ' SER . 40.3 mt -61.91 -43.2 99.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -57.17 -35.33 69.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.476 HG21 ' CD2' ' A' ' 152' ' ' LEU . 0.8 OUTLIER -62.43 -44.33 96.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.597 1.186 . . . . 0.0 110.357 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.527 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.3 OUTLIER -69.7 -45.5 68.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.04 -28.91 70.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.02 -39.94 78.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.4 t -84.31 -2.56 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.471 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.7 OUTLIER -52.18 -176.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . 0.424 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -169.89 55.55 0.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.095 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -115.02 32.61 5.71 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.405 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 4.2 t-160 81.35 133.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 0.0 109.572 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.72 -37.96 74.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 110.368 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.48 75.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.9 76.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.471 ' CE ' HG11 ' A' ' 191' ' ' VAL . 1.0 OUTLIER -57.93 -33.43 68.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -69.06 -54.46 14.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.3 mtp -59.86 -29.68 68.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.489 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 16.2 tp -65.18 -42.6 93.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -63.46 -29.52 70.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 3.8 tt0 -66.91 -46.45 74.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.203 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.71 -49.04 51.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.349 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.482 HD11 ' CG1' ' A' ' 266' ' ' ILE . 16.2 mt -58.24 -55.48 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.585 1.178 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -57.88 -38.02 75.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 19.4 mt-10 -66.16 -29.73 70.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . 0.538 ' HG2' ' CD1' ' A' ' 265' ' ' TRP . 0.4 OUTLIER -64.53 -44.81 89.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.428 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -61.54 -50.01 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.51 -48.0 75.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.85 -39.01 90.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . 0.566 ' CE3' HD12 ' A' ' 215' ' ' LEU . 44.4 t-105 -60.16 -59.63 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 108.017 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -56.17 -33.36 65.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -61.79 -32.67 72.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . 0.566 HD12 ' CE3' ' A' ' 212' ' ' TRP . 2.6 pp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 143.71 29.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -85.92 177.57 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . 0.437 ' HA2' ' CD1' ' A' ' 236' ' ' ILE . . . -52.77 -38.55 53.79 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 6.5 m -61.41 -40.11 93.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.034 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . 0.448 ' O ' ' NE2' ' A' ' 246' ' ' GLN . 1.4 m-20 -65.73 -36.55 83.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.461 ' CG1' ' CG2' ' A' ' 258' ' ' VAL . 4.0 mt -60.42 -30.01 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.48 -22.98 61.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 90.62 23.49 30.82 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.23 -38.23 15.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 15.4 m -105.83 -0.8 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.432 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 5.8 t -138.8 136.81 36.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.6 OUTLIER -73.23 172.52 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.365 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.471 HD13 ' CG1' ' A' ' 247' ' ' ILE . 3.0 tm? -65.64 -59.15 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -49.29 -24.92 2.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 110.35 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.46 -49.4 48.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.067 . . . . 0.0 110.278 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 235' ' ' ASP . 55.0 mt-30 -69.91 -37.6 76.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.471 ' CG1' HD13 ' A' ' 243' ' ' LEU . 33.3 mm -52.54 -57.3 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.73 -45.48 96.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . 0.508 ' CD1' HD11 ' A' ' 256' ' ' ILE . 0.4 OUTLIER -56.21 -31.47 63.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.98 -41.05 87.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 30.3 m -106.91 22.11 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.36 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 255' ' ' PRO . 81.9 t60 -86.28 170.2 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.554 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.456 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 40.3 m-80 -121.22 111.52 33.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 159.34 98.14 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.032 -0.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.11 121.69 6.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.407 1.74 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . 0.508 HD11 ' CD1' ' A' ' 249' ' ' TRP . 4.6 mt -95.71 111.36 55.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 54.66 3.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.604 1.844 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.461 ' CG2' ' CG1' ' A' ' 236' ' ' ILE . 0.3 OUTLIER -58.19 -41.66 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -62.23 -42.71 99.72 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.34 -32.36 73.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . 0.556 HG21 ' CZ2' ' A' ' 265' ' ' TRP . 8.2 mt -63.61 -45.72 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 8.5 t80 -71.42 -39.75 70.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -44.9 89.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -32.07 73.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.556 ' CZ2' HG21 ' A' ' 261' ' ' ILE . 50.8 m0 -61.96 -47.76 83.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 107.962 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.482 ' CG1' HD11 ' A' ' 205' ' ' ILE . 54.4 mt -57.52 -48.24 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.429 ' CG1' HG21 ' A' ' 169' ' ' ILE . 0.8 OUTLIER -60.15 -35.48 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -54.26 49.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.508 ' O ' ' N ' ' A' ' 272' ' ' LYS . . . -62.65 -60.51 7.67 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.509 1.131 . . . . 0.0 111.049 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 274' ' ' VAL . 11.8 mt -42.04 -31.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -69.25 -47.03 65.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.37 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 269' ' ' GLY . 21.1 mttt -65.02 -36.58 84.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 15.4 mt -72.52 -33.35 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 270' ' ' LEU . 19.0 t -68.95 -47.4 75.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . 0.446 ' CD ' ' HA ' ' A' ' 272' ' ' LYS . 8.6 ptt85 -73.04 -16.01 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -35.17 16.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 0.515 ' CG ' ' O ' ' A' ' 277' ' ' TYR . 6.4 t80 -94.49 1.87 55.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 3.8 p -81.16 114.28 47.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.958 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.02 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.455 ' CG1' HG23 ' A' ' 34' ' ' ILE . 3.0 t . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.624 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.8 mt -101.76 150.71 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -86.27 179.68 6.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.7 -57.47 19.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.07 27.86 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -38.89 81.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 0.726 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' SER . 8.7 tp -67.35 -41.61 84.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.82 -31.78 62.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -44.14 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.695 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 45.0 t-105 -56.58 -62.41 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -51.77 -30.02 21.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -50.12 75.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.1 mp -47.7 133.13 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.695 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.519 0.2 . . . . 0.0 110.985 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -143.3 171.93 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.472 ' CD1' HD12 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -62.51 -27.18 68.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -46.11 90.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -63.02 -35.79 81.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.54 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.468 HG13 ' NE1' ' A' ' 16' ' ' TRP . 3.7 mt -63.12 -50.07 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.49 -42.27 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -62.32 -40.27 95.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 108.024 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.18 66.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.4 p -57.81 -35.15 70.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -60.97 -40.09 92.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 3.3 mm-40 -63.63 -34.44 77.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.454 ' CD2' HG12 ' A' ' 60' ' ' ILE . 18.8 mt -70.44 -31.94 69.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -71.34 -42.87 67.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -76.57 -16.73 59.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.224 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -82.41 -6.6 59.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 74.36 34.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.406 ' CG1' ' O ' ' A' ' 41' ' ' LEU . 9.2 p -124.96 149.78 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -64.74 133.91 95.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -19.04 18.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.03 -13.49 48.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.418 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 20.2 mt -76.16 -23.48 54.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 0.721 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.52 ' CD1' ' CD2' ' A' ' 85' ' ' LEU . 6.9 tp -85.47 -2.27 57.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -90.45 -22.24 21.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -126.0 158.44 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.445 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 p -70.13 -31.43 68.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -63.56 -47.3 82.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.456 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -64.44 -40.45 97.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.22 -37.9 89.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -43.25 95.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.67 -34.81 77.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.459 ' CG2' HD13 ' A' ' 82' ' ' ILE . 1.2 mp -73.27 -74.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.503 HD11 ' CD2' ' A' ' 79' ' ' TYR . 11.8 tp -41.69 -37.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.44 -48.73 84.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' ILE . 10.3 mt-30 -96.3 21.95 8.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 0.72 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.511 HD22 ' CD2' ' A' ' 79' ' ' TYR . 16.6 tp -108.9 -26.04 10.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.607 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.6 tm0? -53.56 -45.14 98.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.06 -40.1 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 71' ' ' GLY . 15.8 m -68.67 -12.33 61.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.8 mt -70.74 -43.68 68.36 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -74.63 -6.92 51.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.464 1.103 . . . . 0.0 110.364 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.451 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.93 -5.05 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.74 -99.46 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.56 1.163 . . . . 0.0 111.068 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.0 p 168.98 -176.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.994 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -61.24 -41.2 96.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.43 -46.94 58.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.41 -34.11 73.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.494 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 2.8 tpt180 -61.76 -42.62 99.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 13.9 t -62.05 -30.96 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -47.03 78.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.585 ' CD2' HD13 ' A' ' 68' ' ' LEU . 2.0 t80 -59.21 -42.24 90.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.455 ' HB2' ' CG2' ' A' ' 97' ' ' THR . 0.0 OUTLIER -60.13 -29.12 68.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.3 m -68.59 -48.0 65.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.142 . . . . 0.0 110.396 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.459 HD13 ' CG2' ' A' ' 60' ' ' ILE . 6.5 mt -68.48 -35.85 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.494 ' CB ' HD12 ' A' ' 104' ' ' ILE . . . -56.31 -58.87 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.504 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.6 t -58.52 -41.38 81.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.576 HD13 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.6 -38.91 72.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.457 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 34.7 t80 -61.96 -42.48 99.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 91' ' ' ARG . 1.0 OUTLIER -68.18 -39.02 82.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.1 t -62.11 -42.75 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.502 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 7.7 m-70 -56.09 -40.04 73.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.451 ' HB2' ' CD1' ' A' ' 92' ' ' ILE . 2.4 mm-40 -87.16 -19.55 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.1 OUTLIER 79.67 40.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.461 ' CG2' ' HG2' ' A' ' 103' ' ' LYS . 1.7 mp -75.96 141.03 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.418 ' N ' HG22 ' A' ' 92' ' ' ILE . 18.6 t70 -65.82 101.35 0.64 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.88 154.8 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.12 23.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 178.78 157.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.504 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.8 m -60.43 -34.87 74.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -31.4 70.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -42.78 96.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -70.24 -39.74 74.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -46.79 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -73.9 -41.72 61.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.461 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.54 -63.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.494 HD12 ' CB ' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -54.76 -27.67 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.46 HD12 ' CG2' ' A' ' 151' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.49 162.26 45.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -24.43 12.74 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -41.13 93.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.46 ' CG2' HD12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -72.17 -35.65 69.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.416 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.514 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 29.4 mt -66.51 -32.92 74.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.71 -47.53 62.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.52 76.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.602 ' CZ2' ' O ' ' A' ' 187' ' ' MET . 1.8 t90 -61.96 -49.03 77.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 3.5 t -45.14 -44.16 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -35.05 76.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.596 1.185 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 155' ' ' TRP . 98.2 t -71.09 -45.7 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.472 HG22 ' CE2' ' A' ' 155' ' ' TRP . 2.6 t -55.12 -33.68 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -78.44 -39.22 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -85.63 12.22 9.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -154.26 -77.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.87 -48.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.528 ' CE1' HG23 ' A' ' 273' ' ' ILE . 4.0 m-85 -165.88 76.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.23 170.61 9.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -19.22 18.28 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.17 -1.57 56.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.583 1.177 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.08 -34.21 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 3.3 mt -53.55 -47.72 95.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.97 -35.88 2.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.586 1.835 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -34.35 76.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.599 ' CD2' ' SD ' ' A' ' 187' ' ' MET . 1.2 t80 -66.81 -43.18 84.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' SER . . . . . 0.463 ' HB2' ' CE ' ' A' ' 263' ' ' LYS . 9.9 p -58.31 -39.99 80.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.42 93.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.83 -10.61 59.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' SER . . . . . 0.408 ' OG ' ' CD2' ' A' ' 184' ' ' LEU . 3.2 t -106.63 14.07 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 178' ' ' GLY . 41.3 tt0 -40.09 105.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.17 67.69 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . 0.467 ' CB ' ' OD2' ' A' ' 183' ' ' ASP . . . -103.91 -175.46 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.536 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 1.0 OUTLIER -112.12 -175.23 0.31 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 110.407 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.05 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -34.33 72.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . 0.467 ' OD2' ' CB ' ' A' ' 179' ' ' ALA . 4.0 t0 -77.63 -49.91 13.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.408 ' CD2' ' OG ' ' A' ' 176' ' ' SER . 35.7 mt -64.12 -32.44 74.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 181' ' ' PRO . 4.3 t-20 -65.6 -38.79 90.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.469 HG22 ' CD1' ' A' ' 152' ' ' LEU . 0.3 OUTLIER -60.55 -42.71 97.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.602 ' O ' ' CZ2' ' A' ' 155' ' ' TRP . 7.2 ttm -67.81 -46.38 72.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.459 HD22 ' CE ' ' A' ' 198' ' ' MET . 9.7 mt -81.69 7.5 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 5.0 t30 -100.58 -49.5 4.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 191' ' ' VAL . 3.3 t -98.64 10.76 40.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.373 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.492 ' HA ' ' CZ2' ' A' ' 155' ' ' TRP . 1.3 p -51.11 -175.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -162.17 83.78 0.12 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . 0.51 ' HA3' ' CE2' ' A' ' 164' ' ' PHE . . . -134.03 -62.13 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 0.2 OUTLIER 169.31 133.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.557 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -57.44 -42.48 82.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.95 -48.99 77.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . 0.506 ' CB ' ' CE2' ' A' ' 164' ' ' PHE . . . -59.94 -49.17 78.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.474 ' CE ' HG13 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.93 -33.55 68.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -48.97 79.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -41.58 96.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.466 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 16.0 tp -57.95 -42.75 85.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 7.0 tttp -68.07 -29.65 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 3.8 tt0 -67.27 -45.03 77.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.06 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.5 -49.01 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 266' ' ' ILE . 16.7 mt -59.45 -55.66 22.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.241 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 23.3 t-20 -58.64 -34.66 71.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 3.5 tt0 -65.7 -31.58 72.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.53 -36.94 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.517 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -73.73 -48.62 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.2 -47.67 74.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.31 -33.81 74.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . 0.57 ' CZ3' HD11 ' A' ' 215' ' ' LEU . 0.0 OUTLIER -57.3 -64.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.13 -33.07 70.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -58.9 -33.62 70.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.258 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . 0.57 HD11 ' CZ3' ' A' ' 212' ' ' TRP . 1.9 pp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . 0.406 ' HB3' ' NH1' ' A' ' 232' ' ' ARG . 28.0 mt-10 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . 0.474 ' O ' ' CZ ' ' A' ' 232' ' ' ARG . 18.2 Cg_endo -75.01 107.05 2.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.442 1.759 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . 0.474 ' CZ ' ' O ' ' A' ' 231' ' ' PRO . 0.0 OUTLIER -117.28 146.37 43.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . 0.517 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -36.97 -38.25 0.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 2.5 p -60.28 -51.77 68.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 109.918 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 241' ' ' SER . 1.9 t70 -65.6 -37.35 86.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.07 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.478 HG12 ' CG2' ' A' ' 258' ' ' VAL . 26.2 mt -60.29 -26.62 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -85.73 -15.88 40.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 68.84 32.32 73.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.25 -38.28 13.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 5.0 t -109.54 -2.32 17.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 241' ' ' SER . . . . . 0.472 ' CB ' ' OD1' ' A' ' 235' ' ' ASP . 1.9 t -126.41 145.9 50.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.966 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.462 HG21 ' N ' ' A' ' 243' ' ' LEU . 0.4 OUTLIER -81.77 160.27 23.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.466 ' CD1' ' CG1' ' A' ' 247' ' ' ILE . 2.9 tm? -55.88 -61.11 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -44.5 -27.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -49.66 51.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -67.34 -42.65 83.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.477 ' CD1' HG21 ' A' ' 180' ' ' THR . 45.0 mm -48.0 -56.86 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -59.72 -41.18 97.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . 0.437 ' HA ' ' CE3' ' A' ' 249' ' ' TRP . 0.1 OUTLIER -58.74 -31.61 68.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.4 tpp -68.14 -39.17 82.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.8 p -108.36 22.4 15.98 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 82.0 t60 -85.27 169.5 13.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.647 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.502 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 9.3 t-20 -120.35 111.41 35.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . 0.502 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.98 159.83 97.44 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.011 -0.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.481 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.5 Cg_endo -75.04 119.88 5.83 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . 0.429 HD12 ' CD1' ' A' ' 249' ' ' TRP . 6.8 mt -91.56 114.2 61.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 56.34 4.26 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.478 ' CG2' HG12 ' A' ' 236' ' ' ILE . 0.4 OUTLIER -54.98 -43.66 70.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -60.51 -41.33 98.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.58 -38.85 77.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . 0.473 ' O ' ' CD1' ' A' ' 265' ' ' TRP . 18.8 mt -64.22 -46.09 94.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.162 . . . . 0.0 109.352 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -47.28 73.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . 0.463 ' CE ' ' HB2' ' A' ' 173' ' ' SER . 0.8 OUTLIER -56.7 -45.92 81.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -61.16 -40.0 92.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 261' ' ' ILE . 40.5 m0 -62.14 -47.44 84.57 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . 0.478 ' HA ' ' CD1' ' A' ' 205' ' ' ILE . 94.3 mt -57.62 -46.67 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -32.57 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -56.53 21.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -61.98 -56.94 19.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.43 ' CD1' HG23 ' A' ' 266' ' ' ILE . 12.5 mt -46.33 -33.27 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 0.797 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 169' ' ' ILE . 1.3 m-20 -63.74 -45.74 88.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -68.9 -37.46 79.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.229 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . 0.528 HG23 ' CE1' ' A' ' 164' ' ' PHE . 47.6 mt -59.72 -46.22 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 77.0 t -69.07 -45.99 79.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -58.28 -16.33 13.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 4.5 tpt -95.62 -37.89 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 0.535 ' CG ' ' O ' ' A' ' 277' ' ' TYR . 15.6 t80 -95.44 18.19 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.0 150.19 92.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 34' ' ' ILE . 30.3 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.614 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.2 mt -102.48 155.46 18.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.04 179.75 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.88 -57.67 18.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.35 -40.55 23.4 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.04 -39.38 81.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.783 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.484 ' CB ' ' O ' ' A' ' 9' ' ' SER . 5.7 tp -69.77 -36.05 75.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.29 -33.15 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' O ' HG12 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -76.29 -45.46 32.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.699 ' CH2' ' CD2' ' A' ' 29' ' ' TYR . 17.9 t-105 -56.59 -50.65 71.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 107.995 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.01 -21.76 66.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -2.41 28.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.507 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.6 mm -84.71 145.34 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.699 ' CD2' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.6 0.238 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HG2' ' CD2' ' A' ' 33' ' ' HIS . 0.6 OUTLIER -140.71 174.59 10.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.478 ' CD1' HD12 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.67 -27.84 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -45.59 93.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 10.9 m170 -63.73 -35.95 82.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.621 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.463 HG22 ' CG1' ' A' ' 7' ' ' VAL . 4.3 mt -63.27 -50.34 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -51.76 -41.94 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.1 . . . . 0.0 109.27 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -62.17 -42.61 99.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 0.0 108.019 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HB3' ' CG2' ' A' ' 81' ' ' THR . . . -59.19 -53.13 61.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -35.32 74.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -41.19 95.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.49 -35.04 79.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 95.5 mt -67.79 -41.53 83.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.83 -35.41 68.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -75.73 -25.58 56.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 31.0 t80 -75.95 -6.07 49.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 77.69 30.98 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 1.3 p -123.77 150.3 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -63.72 131.13 94.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -18.79 18.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.45 -10.17 56.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.8 mt -75.52 -26.3 57.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.747 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 tp -78.82 -10.14 59.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -83.25 -22.03 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.2 p -125.87 153.55 43.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.52 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -69.99 -29.03 66.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -49.94 67.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.75 -38.61 76.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.576 1.172 . . . . 0.0 110.977 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 46.8 t -64.06 -39.69 94.63 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -59.9 -39.58 85.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -62.89 -43.43 98.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 61' ' ' LEU . 1.2 mp -68.85 -70.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.478 HD13 ' CD2' ' A' ' 79' ' ' TYR . 12.8 tp -42.41 -37.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.92 -48.92 83.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.62 1.2 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -93.51 19.08 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 0.808 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tp -108.45 -23.35 11.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.608 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 tm0? -54.6 -44.87 99.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.02 -39.88 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -67.34 -11.87 58.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.587 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.6 mt -70.66 -45.01 65.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.84 -7.18 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.457 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.2 t -119.49 -6.01 10.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.34 -98.79 0.39 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 30.9 p 165.49 -176.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -58.57 -41.09 84.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -47.11 55.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.335 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.4 tt -58.77 -34.59 71.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.48 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 2.2 mmm180 -62.5 -46.08 90.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.0 t -56.22 -34.09 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.95 -47.37 83.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD2' HD13 ' A' ' 68' ' ' LEU . 2.4 t80 -61.81 -33.83 74.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.481 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 1.9 t-20 -70.48 -27.6 64.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.439 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 28.4 m -70.69 -49.3 48.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 79' ' ' TYR . 1.0 OUTLIER -69.3 -44.23 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.6 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -48.3 -52.19 22.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.529 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 6.8 t -58.62 -44.76 90.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.552 HD23 ' CZ3' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -57.09 -34.98 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 19.1 t80 -60.54 -44.71 95.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.433 ' SG ' ' O ' ' A' ' 84' ' ' VAL . 1.7 p -67.11 -32.32 73.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 108.322 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.63 -42.9 93.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.52 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 2.0 t-80 -80.26 -18.69 48.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.629 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.609 ' CG ' ' CD1' ' A' ' 92' ' ' ILE . 29.3 tp60 -84.99 -19.81 31.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 88.11 11.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.609 ' CD1' ' CG ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -75.5 141.85 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -99.3 106.06 18.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.507 ' CG2' ' CD1' ' A' ' 19' ' ' ILE . 22.5 m -115.25 173.8 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -112.84 -69.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -107.09 171.52 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.529 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 99.4 m -59.97 -44.3 94.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.453 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -35.47 72.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.66 -31.73 72.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -67.5 -40.75 85.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -56.47 -46.27 80.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -72.5 -38.77 68.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -62.76 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.6 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 3.2 pt -55.66 -27.73 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 7.2 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 187' ' ' MET . 2.2 tt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' SER . . . . . 0.485 ' O ' ' CG2' ' A' ' 151' ' ' THR . 0.0 OUTLIER -85.65 154.92 59.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.957 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -16.85 20.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -65.2 -38.72 91.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 148' ' ' SER . 3.3 t -73.3 -32.54 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.437 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.505 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 5.8 mt -71.94 -44.19 64.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -72.35 -38.44 68.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.38 -48.86 73.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 109.219 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' TRP . . . . . 0.576 ' CD1' HG23 ' A' ' 159' ' ' VAL . 9.8 t90 -62.12 -43.95 97.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 108.039 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 7.0 t -44.79 -43.84 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -69.64 -36.42 76.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 155' ' ' TRP . 4.3 t -63.38 -37.48 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.576 HG23 ' CD1' ' A' ' 155' ' ' TRP . 59.0 t -65.88 -32.09 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -19.69 59.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -102.36 -82.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 2.9 mptt -63.45 -67.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.96 -47.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -167.79 66.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.78 171.91 4.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -19.18 18.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.71 1.86 49.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 172' ' ' PHE . 0.4 OUTLIER -102.88 -34.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.612 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 0.5 OUTLIER -55.59 -46.36 99.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.309 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.0 -33.58 4.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.402 ' C ' ' SD ' ' A' ' 171' ' ' MET . 3.1 tmm? -61.51 -44.32 97.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . 0.568 ' CE1' HG21 ' A' ' 168' ' ' VAL . 15.8 m-30 -61.93 -44.25 97.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' SER . . . . . 0.454 ' HB3' ' CD1' ' A' ' 267' ' ' ILE . 11.8 p -71.15 -25.79 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.96 92.62 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.485 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.25 -31.92 55.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 2.9 t -84.21 7.21 19.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.953 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -45.15 101.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 63.68 52.63 44.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -94.06 -175.35 3.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.615 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.7 OUTLIER -115.9 -171.22 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.425 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' PRO . . . . . 0.615 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.1 Cg_endo -75.02 -38.97 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -68.98 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 183' ' ' ASP . 0.0 OUTLIER -44.89 -40.66 6.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 262' ' ' TYR . 47.0 mt -70.45 -41.95 72.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -55.28 -42.84 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.468 ' CG2' HD13 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -66.45 -42.01 88.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 110.384 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' MET . . . . . 0.54 ' SD ' ' CZ3' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -61.38 -45.42 94.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.3 mp -79.61 -4.39 51.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -94.6 -18.51 21.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.47 ' CG2' HD21 ' A' ' 152' ' ' LEU . 1.5 t -97.18 -22.05 16.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.481 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -50.03 179.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -172.59 52.93 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 193' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -99.03 23.11 37.76 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 1.7 t-80 90.02 131.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -57.83 -37.36 73.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.32 -49.37 74.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.17 75.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 198' ' ' MET . . . . . 0.481 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.1 -33.22 68.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -65.03 -47.88 75.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.182 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 28.2 mtm -58.86 -46.34 88.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 201' ' ' LEU . . . . . 0.508 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 2.3 tp -67.2 -38.68 85.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -55.98 -39.52 71.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 203' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 1.2 tt0 -66.82 -37.02 83.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.262 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -36.53 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.49 ' CG1' HD13 ' A' ' 201' ' ' LEU . 7.7 mt -70.02 -56.36 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.16 -42.88 86.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 31.5 tt0 -65.87 -29.66 70.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.44 -38.97 91.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.447 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -68.67 -49.09 61.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.25 -48.07 74.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.092 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.93 -36.58 82.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 212' ' ' TRP . . . . . 0.568 ' CZ3' HD11 ' A' ' 215' ' ' LEU . 58.2 t-105 -58.72 -50.02 75.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.59 -33.24 66.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -59.48 -41.99 91.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 215' ' ' LEU . . . . . 0.568 HD11 ' CZ3' ' A' ' 212' ' ' TRP . 2.7 pp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 230' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 231' ' ' PRO . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 231' ' ' PRO . . . . . 0.472 ' CG ' HG22 ' A' ' 256' ' ' ILE . 18.0 Cg_endo -75.11 88.17 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.759 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 232' ' ' ARG . . . . . 0.433 ' HD2' ' CB ' ' A' ' 234' ' ' SER . 1.3 ptt180 -86.13 -175.55 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 233' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -72.07 -39.02 59.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 234' ' ' SER . . . . . 0.433 ' CB ' ' HD2' ' A' ' 232' ' ' ARG . 0.9 OUTLIER -65.46 -52.45 52.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 110.01 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -59.77 -44.44 93.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 236' ' ' ILE . . . . . 0.566 HG22 ' CH2' ' A' ' 265' ' ' TRP . 52.1 mt -60.32 -21.01 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -79.41 -22.09 44.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 93.14 21.72 29.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 4.5 t -75.68 -37.03 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 240' ' ' THR . . . . . 0.409 HG21 ' NH2' ' A' ' 232' ' ' ARG . 72.0 p -123.36 -1.99 8.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.35 140.4 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 242' ' ' THR . . . . . 0.555 ' CG2' ' N ' ' A' ' 243' ' ' LEU . 0.4 OUTLIER -89.82 176.69 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 243' ' ' LEU . . . . . 0.587 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 3.2 tm? -69.67 -53.1 20.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 244' ' ' GLN . . . . . 0.412 ' N ' HG22 ' A' ' 242' ' ' THR . 22.0 mt-30 -53.88 -56.39 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.4 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.32 -33.21 72.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.247 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 246' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 242' ' ' THR . 8.5 mm-40 -64.0 -65.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 247' ' ' ILE . . . . . 0.587 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 0.7 OUTLIER -45.0 -37.03 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -65.64 -36.03 91.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 249' ' ' TRP . . . . . 0.468 ' N ' ' O ' ' A' ' 246' ' ' GLN . 0.3 OUTLIER -73.28 -47.77 40.21 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.9 ptp -68.74 -13.52 62.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 98.6 m -118.29 21.9 12.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 252' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 255' ' ' PRO . 1.2 t-80 -89.41 176.53 6.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.531 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 253' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 4.8 t30 -125.39 111.43 26.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 254' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -74.95 155.0 99.99 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.967 -0.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 255' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.08 120.05 5.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 256' ' ' ILE . . . . . 0.472 HG22 ' CG ' ' A' ' 231' ' ' PRO . 11.2 mt -81.32 136.18 49.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 257' ' ' PRO . . . . . 0.505 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.1 Cg_endo -75.06 53.45 3.37 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 258' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 259' ' ' GLY . 2.2 t -65.39 -63.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 259' ' ' GLY . . . . . 0.408 ' N ' HG11 ' A' ' 258' ' ' VAL . . . -61.13 -39.69 97.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -65.02 -35.42 81.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 110.362 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 261' ' ' ILE . . . . . 0.625 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 6.8 mt -64.73 -43.39 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 262' ' ' TYR . . . . . 0.574 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.4 t80 -64.45 -47.35 79.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 263' ' ' LYS . . . . . 0.421 ' CE ' ' HA ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.86 -43.88 81.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.372 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.421 ' HA ' ' CE ' ' A' ' 263' ' ' LYS . 3.6 ttp180 -56.72 -34.09 67.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 265' ' ' TRP . . . . . 0.625 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 46.7 m0 -62.5 -47.83 82.22 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . 72.1 mt -57.53 -46.97 86.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 173' ' ' SER . 0.6 OUTLIER -60.01 -31.16 47.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -57.43 12.84 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.397 1.06 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 269' ' ' GLY . . . . . 0.508 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -61.96 -59.0 10.31 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 0.0 111.061 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 270' ' ' LEU . . . . . 0.466 ' O ' ' CG2' ' A' ' 274' ' ' VAL . 11.0 mt -42.6 -28.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 271' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 269' ' ' GLY . 0.9 OUTLIER -70.47 -47.59 59.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 269' ' ' GLY . 11.1 tttt -67.7 -43.55 79.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 52.1 mt -60.57 -46.18 95.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 274' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 270' ' ' LEU . 38.4 t -62.96 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -67.06 -16.37 64.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -37.88 57.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.83 18.1 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 87.9 p -71.96 113.7 22.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.048 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.74 176.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.79 121.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -172.92 176.03 3.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.5 p -179.03 94.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.013 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.46 ' CG1' HG21 ' A' ' 34' ' ' ILE . 39.5 t -152.81 -66.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.62 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.6 mt -103.59 155.42 18.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.15 179.71 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.38 -58.01 16.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.08 -40.83 23.82 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.89 -40.63 84.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' A' ' 9' ' ' SER . 6.4 tp -66.62 -43.18 85.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 3.1 t70 -56.57 -31.83 64.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -45.31 35.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.62 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 27.9 t-105 -56.65 -59.02 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -22.02 58.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 1.1 mmpt? -86.6 46.75 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.461 ' CD1' HG12 ' A' ' 84' ' ' VAL . 75.8 mt -149.15 119.21 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' CG ' ' HB3' ' A' ' 96' ' ' ASP . 4.4 ptm85 -72.26 138.9 47.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.244 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.546 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -65.46 -133.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.73 156.01 92.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.02 11.14 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.543 1.812 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.0 -1.03 60.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.153 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.01 -38.71 5.37 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 62.13 46.55 6.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.76 143.01 51.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -105.52 142.95 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -60.2 149.48 32.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -142.53 168.46 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' CD1' HD13 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.06 -28.03 68.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -44.88 95.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -62.95 -36.07 82.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.46 HG21 ' CG1' ' A' ' 7' ' ' VAL . 5.7 mt -63.54 -50.26 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -57.04 -45.12 83.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -62.44 -39.64 94.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.15 -52.75 64.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -34.86 78.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.72 -41.24 94.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -65.1 -34.91 79.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 95.8 mt -61.72 -48.7 79.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -56.92 -32.74 66.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -71.6 -30.24 65.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -78.29 2.98 16.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 74.37 34.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 8.7 p -124.92 150.24 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -63.85 125.17 87.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.95 18.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.65 -8.1 62.67 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD1' HD12 ' A' ' 60' ' ' ILE . 22.2 mt -74.25 -24.62 59.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.5 tp -78.75 -20.71 49.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.79 -22.04 63.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.91 153.99 43.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.505 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 8.0 t -69.87 -29.17 66.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.47 -49.91 65.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -65.71 -35.35 90.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -39.62 94.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -46.05 90.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -59.19 -38.9 80.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.474 HD12 ' CD1' ' A' ' 50' ' ' LEU . 1.2 mp -67.54 -69.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.457 HD11 ' CD2' ' A' ' 79' ' ' TYR . 14.0 tp -43.9 -32.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.79 -48.91 58.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -92.77 20.99 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.275 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.487 HD23 ' CD2' ' A' ' 79' ' ' TYR . 11.9 tp -111.69 -28.45 8.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.602 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -52.75 -45.23 96.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.94 -40.37 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' GLY . 0.2 OUTLIER -68.46 -12.11 60.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.593 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.5 mt -71.12 -43.95 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.16 -7.01 51.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.446 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.15 -5.45 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.74 -99.38 0.42 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.458 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 26.8 p 167.54 -177.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.09 -41.02 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -71.32 -46.25 61.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.416 ' CD2' HD21 ' A' ' 68' ' ' LEU . 7.1 tt -59.84 -34.26 72.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.45 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 2.9 ttm-85 -61.18 -48.93 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.2 -35.2 64.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -62.32 -47.11 85.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.593 ' CD2' HD13 ' A' ' 68' ' ' LEU . 1.5 t80 -62.77 -40.67 98.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.464 ' CG ' ' CG2' ' A' ' 97' ' ' THR . 1.5 t-20 -62.82 -29.88 71.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.5 m -70.01 -46.48 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.379 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.461 ' CD1' HD13 ' A' ' 78' ' ' LEU . 7.5 mt -66.18 -43.99 91.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.517 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -49.95 -51.57 40.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 4.2 t -58.62 -43.26 87.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.56 HD21 ' CE3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -56.75 -42.94 80.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -60.81 -32.7 72.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.502 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 0.5 OUTLIER -69.87 -39.88 76.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.331 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 43.1 t -64.79 -32.85 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.505 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 23.7 m80 -67.88 -40.22 83.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.618 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.509 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 1.7 mm-40 -85.4 -20.13 30.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 87' ' ' CYS . 1.2 ttt180 71.52 48.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.509 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.4 mp -90.29 141.33 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -62.63 106.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 9.1 m -130.62 171.94 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.07 -46.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.409 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -122.48 170.87 9.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.521 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 85.2 m -59.91 -45.48 92.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -60.41 -31.73 70.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -33.52 76.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -69.17 -38.77 78.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 1.1 mp -56.55 -46.65 80.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -72.69 -42.26 64.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.403 ' CG ' HG23 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.58 -62.19 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.517 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.7 pt -55.83 -30.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 3.5 mt-10 -56.98 -53.94 52.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.41 -50.3 73.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -52.05 -51.11 59.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.04 -54.94 36.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -53.08 -28.14 23.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -54.12 8.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -60.32 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.91 -37.77 4.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 -57.11 12.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -49.41 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.7 23.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -49.71 51.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.97 -52.18 52.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 119' ' ' ALA . . . -56.98 -60.16 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' ALA . . . -40.06 -35.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.28 -61.17 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' THR . 27.7 t70 -92.36 35.92 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' ASP . 1.2 m -38.29 152.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -144.05 -62.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.47 96.35 7.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -178.55 167.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 64.3 p -75.16 120.56 20.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.96 165.51 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.7 p -131.52 153.41 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.1 p -75.44 167.87 21.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -141.29 158.79 43.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -103.92 165.49 11.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 132' ' ' TYR . 11.4 p90 -133.95 93.59 20.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.27 25.21 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 5.9 tt -151.95 149.23 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -144.14 150.41 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -56.29 137.84 51.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.345 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -78.58 138.92 38.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 139' ' ' GLN . 1.2 pp -113.37 164.55 13.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.416 ' N ' HD11 ' A' ' 138' ' ' LEU . 34.4 mt-30 -108.45 123.0 48.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.269 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -68.86 -141.17 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -144.37 150.35 37.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.78 150.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 35.4 m -136.19 103.43 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -82.92 142.59 31.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.89 147.92 29.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.79 -176.53 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.508 ' CD1' ' OD1' ' A' ' 183' ' ' ASP . 1.2 tt -85.39 143.45 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.91 159.86 53.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.71 14.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.454 1.765 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -65.28 -38.08 89.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.503 ' CG2' HD11 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -73.33 -40.42 64.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.432 ' CD2' ' HA ' ' A' ' 187' ' ' MET . 17.4 mt -55.1 -43.53 74.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -64.81 -41.41 95.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.53 -49.08 77.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.571 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 27.3 t-105 -62.1 -47.28 85.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 53.1 t -45.42 -43.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -36.69 83.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.461 HG23 ' CE ' ' A' ' 171' ' ' MET . 90.0 t -63.39 -44.95 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.568 ' CG2' ' CE2' ' A' ' 155' ' ' TRP . 94.6 t -61.27 -46.73 96.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.56 -16.51 64.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.364 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.45 -52.66 7.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 168' ' ' VAL . 0.1 OUTLIER -165.09 58.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.453 ' HB1' ' CG1' ' A' ' 159' ' ' VAL . . . -39.02 -47.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -109.68 105.59 14.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.48 ' HB2' ' HD2' ' A' ' 166' ' ' PRO . 44.3 p 179.84 163.52 0.84 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.3 Cg_endo -74.98 -17.54 19.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.74 5.18 52.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 162' ' ' LYS . 0.3 OUTLIER -110.52 -32.93 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.5 mm -56.53 -44.34 99.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.95 -37.45 2.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.461 ' CE ' HG23 ' A' ' 158' ' ' VAL . 0.0 OUTLIER -62.34 -38.02 87.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.551 ' CE1' HG22 ' A' ' 266' ' ' ILE . 17.7 t80 -71.26 -44.43 65.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 177' ' ' GLU . 20.5 p -61.8 -27.5 68.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.57 -45.86 61.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.4 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.12 -10.94 59.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.6 13.99 12.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 173' ' ' SER . 10.8 pt-20 -42.6 116.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.71 65.28 0.67 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.462 ' CB ' ' OD2' ' A' ' 183' ' ' ASP . . . -103.7 170.65 7.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.534 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.8 OUTLIER -94.66 -175.77 0.5 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.38 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.2 Cg_endo -75.01 -37.25 2.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -69.59 -30.52 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . 0.508 ' OD1' ' CD1' ' A' ' 147' ' ' ILE . 3.5 t0 -82.85 -49.31 9.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.86 -38.22 87.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 181' ' ' PRO . 77.6 m-20 -64.7 -42.37 95.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.448 ' CG2' HG22 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -61.28 -47.64 85.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.414 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.571 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -63.06 -44.93 94.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.464 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 0.9 OUTLIER -66.74 -20.46 65.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.79 -48.95 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 9.2 t -66.74 -18.62 65.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.378 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.463 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -51.07 -179.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 170.44 96.57 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -143.66 -51.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -171.64 118.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.566 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.55 -37.99 74.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.53 -49.39 76.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 273' ' ' ILE . . . -59.32 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.464 ' CE ' ' HG ' ' A' ' 188' ' ' LEU . 0.5 OUTLIER -58.05 -33.35 68.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 111.01 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -62.31 -54.54 39.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.38 -39.52 83.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.472 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 1.6 tp -57.64 -42.7 83.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -62.15 -34.44 76.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -66.93 -46.35 75.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -41.35 88.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.467 HD12 ' CG1' ' A' ' 266' ' ' ILE . 15.3 mt -63.56 -55.04 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -58.47 -40.96 84.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.11 -29.72 70.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 265' ' ' TRP . 0.6 OUTLIER -63.07 -40.92 99.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.45 ' CA ' ' HA3' ' A' ' 233' ' ' GLY . . . -66.15 -50.21 64.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.02 75.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.61 -39.82 95.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -57.69 -59.43 5.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 108.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -56.37 -33.68 65.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.12 -41.91 93.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.253 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 2.9 pp -94.18 0.43 55.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -111.42 97.5 36.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.596 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 108.69 2.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 75.5 t -86.09 97.88 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -126.3 67.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.587 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -107.44 116.56 32.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -67.2 -141.29 0.06 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 78.67 2.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.81 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 229' ' ' ARG . 20.4 tt -52.44 162.21 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . 0.462 ' HB1' ' CG ' ' A' ' 227' ' ' GLN . . . -62.11 160.94 26.9 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 102.86 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 102.29 -17.2 54.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . 0.462 ' CG ' ' HB1' ' A' ' 224' ' ' ALA . 0.5 OUTLIER -44.26 160.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.271 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' A' ' 252' ' ' HIS . 0.4 OUTLIER -89.29 91.14 8.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.445 ' HA ' ' CD1' ' A' ' 223' ' ' ILE . 0.0 OUTLIER -49.95 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.43 109.56 53.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . 0.505 ' HG3' ' CD2' ' A' ' 249' ' ' TRP . 18.3 Cg_endo -74.96 141.95 27.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.54 1.81 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.69 175.86 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . 0.45 ' HA3' ' CA ' ' A' ' 209' ' ' ALA . . . -45.79 -38.27 7.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 7.0 m -66.65 -43.19 85.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 110.021 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.6 -47.37 85.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.425 HG21 ' CZ3' ' A' ' 265' ' ' TRP . 32.7 mt -60.65 -23.61 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -73.61 -22.77 59.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 99.16 17.66 26.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.24 -38.31 15.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 0.788 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 43.9 m -111.52 6.36 20.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.412 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 18.3 t -146.41 143.18 28.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -91.06 174.12 7.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.535 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 3.0 tm? -57.48 -53.31 59.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -52.39 44.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.54 71.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . 0.461 ' HG3' ' CG1' ' A' ' 258' ' ' VAL . 1.8 tp60 -65.17 -66.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.535 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 1.0 OUTLIER -48.25 -42.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.69 -51.43 58.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.547 ' CE2' ' SD ' ' A' ' 228' ' ' MET . 0.0 OUTLIER -58.7 -32.84 69.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 21.0 mtm -69.89 -41.34 74.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 13.8 t -100.75 22.43 12.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' A' ' 228' ' ' MET . 0.2 OUTLIER -80.79 169.8 17.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 21.6 m-80 -121.62 111.43 33.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.97 159.3 98.2 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.996 -0.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -75.03 129.27 12.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 4.2 mt -103.5 137.99 19.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 55.4 3.97 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.461 ' CG1' ' HG3' ' A' ' 246' ' ' GLN . 2.3 t -61.68 -64.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.65 97.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.8 -38.35 85.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . 0.696 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 11.4 mt -64.46 -45.64 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . 0.521 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.2 t80 -65.15 -39.85 93.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.05 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.416 ' HE2' ' N ' ' A' ' 264' ' ' ARG . 1.1 ttpt -61.82 -44.55 96.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.416 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -62.96 -31.65 72.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.696 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 53.7 m0 -61.81 -48.14 81.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 108.027 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.551 HG22 ' CE1' ' A' ' 172' ' ' PHE . 69.0 mt -57.52 -46.05 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -59.72 -36.27 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -53.53 57.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.472 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.55 -60.38 7.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.521 ' CB ' ' CD1' ' A' ' 169' ' ' ILE . 13.3 mt -45.95 -31.88 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -46.96 84.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.2 OUTLIER -69.2 -37.52 78.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 201' ' ' LEU . 52.0 mt -60.93 -45.67 97.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 165' ' ' SER . 40.3 t -69.11 -45.55 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -16.39 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 2.8 mtt -93.79 -37.86 11.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.72 18.55 14.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.0 150.18 92.52 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 104.94 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 8.0 m 38.82 78.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 93.6 p -73.97 162.04 29.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 16.0 tt -103.67 162.39 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -87.0 158.66 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -171.66 154.08 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.561 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -172.6 141.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.604 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -169.65 122.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.596 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -150.37 170.49 18.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.599 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.74 95.21 5.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -178.5 138.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 109.269 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.76 -58.31 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 110.313 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.7 -82.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.24 55.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 34' ' ' ILE . 19.3 t -154.94 -65.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.593 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 10.3 mt -104.11 151.14 23.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.83 179.57 7.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.401 1.063 . . . . 0.0 109.983 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.69 -57.63 18.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.054 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -41.15 27.13 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.23 -39.33 82.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' A' ' 9' ' ' SER . 8.4 tp -67.5 -40.5 85.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 23.3 t0 -55.88 -32.04 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -45.14 34.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.593 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 56.4 t-105 -56.38 -61.15 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 107.995 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -21.14 57.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 12.8 tttt -91.05 39.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.448 ' CD1' HG11 ' A' ' 84' ' ' VAL . 56.4 mt -141.59 136.8 31.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.418 1.074 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.56 146.35 26.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -71.32 -137.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -59.51 159.71 16.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 124.82 8.88 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.3 -0.88 62.1 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.76 -30.83 10.85 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER 54.66 23.49 4.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -95.46 152.29 18.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.8 148.02 32.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.525 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 1.2 m-85 -72.94 151.78 41.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -141.01 167.24 22.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.437 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.6 mm? -61.66 -28.03 69.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -44.74 95.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -62.8 -37.13 85.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.561 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.468 ' CG2' HG12 ' A' ' 7' ' ' VAL . 5.1 mt -62.17 -49.71 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.41 -43.5 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -62.64 -40.59 97.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.16 -52.76 64.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -34.82 76.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.053 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 -60.67 -41.11 94.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.82 -34.82 79.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 42.5 mt -58.58 -49.92 75.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -57.01 -39.43 74.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -35.78 78.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.216 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -76.01 -1.23 24.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 74.49 40.55 0.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 8.8 p -125.06 150.11 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.02 129.0 93.68 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.79 18.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.35 -8.98 60.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -72.33 -39.89 67.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.527 0.781 . . . . 0.0 109.25 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tp -66.94 -10.71 51.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.19 -21.89 36.25 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.8 154.35 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.432 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.541 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 96.2 p -70.01 -29.2 66.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.1 -50.08 65.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.456 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -69.99 -37.38 73.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.421 1.076 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.418 ' SG ' ' CG2' ' A' ' 82' ' ' ILE . 4.6 t -64.07 -39.13 93.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -60.03 -46.04 90.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.98 -28.67 69.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER -71.17 -71.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.501 HD11 ' CD2' ' A' ' 79' ' ' TYR . 13.9 tp -46.43 -31.07 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.18 -49.08 42.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.25 18.6 5.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.482 HD22 ' CD2' ' A' ' 79' ' ' TYR . 14.6 tp -112.12 -26.97 8.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.6 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 5.3 tm0? -52.86 -45.15 97.61 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.274 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -74.97 -40.36 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 71' ' ' GLY . 70.5 m -68.31 -11.95 60.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.051 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 79' ' ' TYR . 6.5 mt -71.14 -43.99 66.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.67 -7.48 52.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.446 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 3.2 t -120.31 -5.5 9.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.405 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.1 -98.46 0.38 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.496 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 32.8 p 166.4 -177.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.946 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -59.22 -41.01 87.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.21 -46.58 60.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.434 ' CD2' HD22 ' A' ' 68' ' ' LEU . 7.2 tt -59.91 -34.31 73.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.455 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -60.98 -49.51 77.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -35.23 64.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.08 -47.16 85.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.599 ' CD2' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -62.65 -42.48 99.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.467 ' CG ' ' CG2' ' A' ' 97' ' ' THR . 1.5 t-20 -60.36 -31.79 70.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.6 m -69.17 -45.08 70.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.394 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.428 HD12 ' CG2' ' A' ' 60' ' ' ILE . 23.3 mt -67.54 -38.58 80.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.538 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -52.17 -55.35 21.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.53 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.6 t -58.71 -41.11 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.568 HD11 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -57.35 -37.89 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.495 ' O ' ' CD2' ' A' ' 89' ' ' HIS . 37.8 t80 -59.83 -54.96 40.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' A' ' 92' ' ' ILE . 0.5 OUTLIER -58.5 -36.01 73.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -63.65 -40.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.541 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 0.0 OUTLIER -55.97 -40.2 72.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.522 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.519 ' HG2' ' CE1' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -86.8 -17.19 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 81.24 40.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.25 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.441 ' CG2' ' SG ' ' A' ' 87' ' ' CYS . 1.3 mp -75.91 141.23 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.423 ' N ' HG22 ' A' ' 92' ' ' ILE . 1.9 p30 -69.95 101.51 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.44 ' CG1' HG21 ' A' ' 92' ' ' ILE . 16.8 m -140.81 153.64 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -147.58 19.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.517 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 15.8 t70 -164.41 149.2 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.53 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 7.9 m -60.75 -35.12 75.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.517 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 11.5 tttt -69.56 -34.07 73.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -42.49 98.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -68.98 -38.99 79.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.492 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 0.6 OUTLIER -56.72 -45.63 81.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.82 -41.87 64.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -62.45 1.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.538 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.5 pt -56.09 -28.04 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 5.8 mt-10 -57.17 -53.98 51.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -48.46 81.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -51.98 -51.01 60.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -55.37 -52.98 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -52.96 -43.83 66.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.358 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -55.36 36.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.34 -50.66 50.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.972 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -52.21 -54.21 33.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -51.26 -53.49 34.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -49.75 -51.0 42.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.413 1.071 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.55 -55.17 27.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.51 -48.85 47.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -54.26 40.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.24 -55.61 23.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.34 -48.56 2.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.52 -56.67 12.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.34 -58.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.8 p -63.28 -51.84 64.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -70.79 89.66 0.38 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -159.63 116.29 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -133.67 167.86 19.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 71.5 m 62.99 136.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.948 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -172.74 139.4 0.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -136.34 115.14 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.7 p -92.9 153.8 18.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.049 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -110.19 154.11 23.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -62.48 163.84 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.555 ' CD2' ' HD2' ' A' ' 133' ' ' PRO . 0.2 OUTLIER -146.6 155.81 48.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.555 ' HD2' ' CD2' ' A' ' 132' ' ' TYR . 18.3 Cg_endo -75.01 157.67 42.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 0.0 111.016 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.46 142.86 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.4 m -93.98 156.96 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.15 171.49 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.256 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -174.05 161.68 3.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.6 tt -119.49 168.17 11.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 67.71 164.97 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.334 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -105.93 -140.97 10.26 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.55 91.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 16.1 ptm -128.75 175.53 8.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 34.9 m -123.88 89.52 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.507 ' CD2' HD13 ' A' ' 247' ' ' ILE . 0.1 OUTLIER -77.66 142.8 38.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.596 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -81.91 148.03 28.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.71 176.27 7.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.471 ' CG2' HG22 ' A' ' 186' ' ' THR . 1.6 tt -78.66 143.95 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.3 160.93 53.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.967 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -23.49 13.83 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -37.12 85.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.403 HG23 ' CD1' ' A' ' 147' ' ' ILE . 0.7 OUTLIER -75.5 -32.7 60.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.431 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 187' ' ' MET . 26.6 mt -64.95 -43.18 93.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.82 -43.77 78.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.18 -49.19 76.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.557 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 19.3 t-105 -62.14 -48.77 78.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 39.7 t -47.46 -43.55 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.69 -33.41 72.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 155' ' ' TRP . 84.7 t -75.04 -37.87 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.545 ' CG2' ' CE2' ' A' ' 155' ' ' TRP . 6.4 t -63.41 -42.29 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.62 -35.68 52.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.389 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.55 -27.8 66.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -129.47 -76.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.221 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.52 -47.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 277' ' ' TYR . 32.2 p90 -150.77 112.58 4.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.578 1.174 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.439 ' HB2' ' HD2' ' A' ' 166' ' ' PRO . 41.7 p -179.55 161.74 0.93 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.3 Cg_endo -74.94 -18.07 19.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.585 1.834 . . . . 0.0 111.052 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.6 2.34 56.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.248 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 169' ' ' ILE . 0.3 OUTLIER -108.31 -33.67 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.3 mm -51.57 -45.53 90.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.12 -34.71 3.52 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.439 1.758 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.424 ' HG2' ' CG1' ' A' ' 158' ' ' VAL . 9.8 tpt -61.97 -37.59 85.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.56 ' CE2' HG23 ' A' ' 266' ' ' ILE . 64.9 t80 -62.47 -44.37 96.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 20.8 t -62.86 -30.24 71.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.71 89.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.87 -10.08 59.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' SER . . . . . 0.443 ' CB ' HD22 ' A' ' 184' ' ' LEU . 3.8 t -108.39 14.1 25.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -43.25 111.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 40.07 64.18 1.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.7 -175.6 2.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 0.789 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.56 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.2 OUTLIER -115.35 -174.12 0.27 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.56 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.5 Cg_endo -74.93 -40.99 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 185' ' ' ASN . 3.4 tt0 -69.25 -64.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.88 -42.66 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.443 HD22 ' CB ' ' A' ' 176' ' ' SER . 55.6 mt -70.25 -39.22 75.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 182' ' ' GLN . 1.1 t30 -55.16 -41.1 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.471 HG22 ' CG2' ' A' ' 147' ' ' ILE . 0.4 OUTLIER -65.41 -43.7 89.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.477 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.557 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.6 OUTLIER -61.6 -45.49 93.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.461 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 1.0 OUTLIER -67.04 -17.73 65.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -79.82 -48.87 12.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 191' ' ' VAL . 8.3 t -71.24 -8.42 53.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.398 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.463 HG13 ' CE ' ' A' ' 198' ' ' MET . 0.5 OUTLIER -52.3 -176.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -165.69 56.49 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 197' ' ' ALA . . . -114.24 31.67 6.34 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 76.58 134.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 0.729 . . . . 0.0 109.615 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -60.36 -38.1 82.78 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.32 77.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 193' ' ' GLY . . . -59.2 -48.82 80.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.463 ' CE ' HG13 ' A' ' 191' ' ' VAL . 0.1 OUTLIER -57.88 -38.42 75.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 0.0 110.976 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -60.37 -54.52 44.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 33.4 ttp -58.82 -29.12 66.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 273' ' ' ILE . 0.9 OUTLIER -65.54 -36.88 85.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.213 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 2.1 ttpt -68.73 -29.8 68.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 0.1 OUTLIER -67.27 -46.9 72.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -48.93 34.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 266' ' ' ILE . 23.5 mt -59.03 -55.83 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.369 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 55.3 t30 -58.47 -38.81 78.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 2.7 tm-20 -65.62 -29.36 69.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . 0.4 ' HG2' ' CD1' ' A' ' 265' ' ' TRP . 1.0 OUTLIER -65.42 -38.59 90.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.242 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.567 ' HB3' ' CH2' ' A' ' 265' ' ' TRP . . . -71.72 -49.91 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.5 -48.08 75.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -67.69 -36.91 81.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . 0.458 ' CZ2' ' ND1' ' A' ' 216' ' ' HIS . 31.1 t-105 -57.73 -61.68 2.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 107.971 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -56.44 -33.32 65.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -59.2 -35.54 73.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.563 1.164 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.63 -1.34 24.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . 0.458 ' ND1' ' CZ2' ' A' ' 212' ' ' TRP . 10.7 t60 -112.25 94.78 27.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.571 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 119.99 5.9 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 0.45 HG13 ' CB ' ' A' ' 230' ' ' GLU . 78.8 t -135.65 49.47 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 218' ' ' VAL . 2.1 t-80 36.62 88.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.567 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -69.37 72.83 0.32 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -137.57 -137.04 3.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -174.77 2.05 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.479 1.778 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 228' ' ' MET . 9.9 tt -164.69 160.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.232 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 227' ' ' GLN . . . -70.63 158.62 87.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.34 3.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 70.85 4.76 55.6 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . 0.474 ' HB2' ' CB ' ' A' ' 224' ' ' ALA . 5.9 mm-40 -108.24 71.33 0.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.435 0.727 . . . . 0.0 110.263 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.595 ' SD ' ' CD1' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -55.3 86.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 227' ' ' GLN . 0.0 OUTLIER -76.74 104.09 7.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . 0.45 ' CB ' HG13 ' A' ' 218' ' ' VAL . 19.1 mt-10 65.08 83.57 0.19 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 137.7 22.13 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.433 1.754 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.09 -178.56 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.236 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . . . . . . . . . . . -53.41 -38.84 58.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 13.2 t -63.19 -41.64 99.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.958 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.19 -38.23 90.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.474 ' CG2' HG21 ' A' ' 258' ' ' VAL . 24.2 mt -60.44 -29.08 43.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.9 -23.09 61.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.182 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 95.35 21.0 25.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.36 -38.27 16.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 24.4 m -102.45 -1.67 30.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 44.4 t -142.15 151.82 42.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.545 ' CG2' ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -90.05 176.03 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 110.445 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.554 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 3.0 tm? -67.18 -50.59 60.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . 0.428 ' N ' HG23 ' A' ' 242' ' ' THR . 16.5 tt0 -51.61 -53.6 36.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.05 -31.43 71.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . 0.44 ' CG ' HG13 ' A' ' 258' ' ' VAL . 0.0 OUTLIER -63.95 -67.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.554 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 1.0 OUTLIER -46.54 -40.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.42 -50.05 71.83 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.566 1.166 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.595 ' CD1' ' SD ' ' A' ' 228' ' ' MET . 0.7 OUTLIER -62.62 -31.58 72.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 250' ' ' MET . . . . . 0.402 ' HE1' ' CB ' ' A' ' 180' ' ' THR . 7.7 mtm -66.94 -23.64 65.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 15.1 t -117.9 21.82 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.427 ' O ' ' CA ' ' A' ' 255' ' ' PRO . 49.7 t-80 -93.32 172.4 8.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -119.69 114.15 34.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.36 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 159.21 98.34 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 120.994 -2.503 . . . . 0.0 111.01 0.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.427 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.07 121.11 6.35 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.483 1.78 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 5.9 mt -90.02 116.42 66.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 109.344 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.423 ' O ' ' CD1' ' A' ' 261' ' ' ILE . 18.2 Cg_endo -74.98 55.74 4.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.531 1.806 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.474 HG21 ' CG2' ' A' ' 236' ' ' ILE . 0.3 OUTLIER -59.84 -44.29 93.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . 0.416 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -69.81 -39.02 76.6 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.72 -32.42 70.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.299 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . 0.47 ' CG2' HD12 ' A' ' 236' ' ' ILE . 4.7 mt -73.04 -46.18 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . 0.546 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 8.5 t80 -65.35 -48.47 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.33 -38.8 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 2.7 mtt-85 -62.76 -36.44 83.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.244 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 209' ' ' ALA . 54.7 m0 -62.01 -43.59 98.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.031 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.56 HG23 ' CE2' ' A' ' 172' ' ' PHE . 36.1 mt -57.17 -47.54 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -28.83 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -57.65 11.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 272' ' ' LYS . . . -62.17 -57.26 17.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.456 ' CB ' ' CD1' ' A' ' 169' ' ' ILE . 11.1 mt -45.98 -35.66 4.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -40.18 96.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 269' ' ' GLY . 54.1 tttt -69.14 -37.74 78.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . 0.467 ' CD1' HD13 ' A' ' 201' ' ' LEU . 35.9 mt -62.29 -46.18 97.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 165' ' ' SER . 77.3 t -68.73 -41.8 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -16.38 64.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.0 -37.87 12.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 0.57 ' HB3' ' CD2' ' A' ' 164' ' ' PHE . 0.7 OUTLIER -99.23 14.65 28.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.46 154.96 71.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -41.33 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 67.9 p -112.55 119.01 36.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.7 104.72 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 72.3 mt -80.25 97.38 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.19 150.6 9.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.94 169.87 17.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.517 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -141.99 162.61 35.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.59 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.21 132.0 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.605 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 288' ' ' HIS . 7.7 t60 -126.43 160.08 31.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.672 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . 0.437 ' N ' ' CG ' ' A' ' 287' ' ' HIS . 0.4 OUTLIER -175.76 135.6 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.632 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 25.0 p80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.599 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -174.82 -61.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 4.5 ppt_? 177.68 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.416 ' N ' ' HD2' ' A' ' 4' ' ' ARG . . . -40.51 -61.17 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -141.25 -179.44 6.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.901 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.459 HG13 ' CG2' ' A' ' 34' ' ' ILE . 3.6 t -62.92 -49.09 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.562 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.8 mt -106.81 153.96 21.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.11 179.82 7.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.052 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.93 -57.57 19.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.78 -39.49 24.6 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.03 -38.41 79.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 9' ' ' SER . 6.5 tp -72.03 -34.79 69.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -31.55 70.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -44.48 25.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.793 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 64.0 t-105 -56.43 -48.6 76.65 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.91 -21.75 63.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -92.61 41.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.468 ' CD1' HG11 ' A' ' 84' ' ' VAL . 67.9 mt -148.01 125.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 151.04 27.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -73.2 -133.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -71.79 156.61 90.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 128.51 11.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.02 -1.01 60.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.51 -37.55 5.54 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.11 45.27 9.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -126.27 143.17 51.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -107.07 142.85 36.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.793 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -57.0 146.38 27.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.97 165.59 26.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.83 -28.34 69.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -61.95 -44.24 97.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -62.91 -37.74 88.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.604 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.459 ' CG2' HG13 ' A' ' 7' ' ' VAL . 6.6 mt -61.2 -50.1 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.7 -43.9 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.462 ' CE2' ' OE1' ' A' ' 40' ' ' GLU . 16.7 t90 -62.55 -40.21 96.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 108.063 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.28 -52.9 63.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.239 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.414 ' CB ' HD22 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -61.99 -34.83 76.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.094 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -41.1 95.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' OE1' ' CE2' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -64.74 -34.94 79.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 95.5 mt -58.74 -49.63 76.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -39.46 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmt-85 -65.69 -32.91 74.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.447 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 37.5 t80 -75.91 -0.04 20.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 73.83 36.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 9.8 p -124.74 150.06 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.43 126.27 90.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.71 18.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.573 1.828 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.43 -9.62 61.65 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.452 ' CD1' HD13 ' A' ' 60' ' ' ILE . 25.6 mt -72.96 -33.39 65.84 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.428 ' CD1' HD22 ' A' ' 85' ' ' LEU . 13.2 tp -70.55 -19.69 62.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.42 -22.12 63.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.95 150.21 48.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.482 ' CB ' ' CG ' ' A' ' 89' ' ' HIS . 93.2 p -65.94 -30.58 71.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.059 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.26 -38.58 71.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -70.39 -43.21 62.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.577 1.173 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.2 p -66.08 -35.73 81.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -59.79 -45.96 90.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.2 -35.66 75.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.459 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 1.2 mp -69.23 -70.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.574 HD12 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -42.83 -36.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.18 -49.22 76.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.16 19.07 7.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.456 HD21 ' CD1' ' A' ' 78' ' ' LEU . 16.4 tp -110.16 -22.62 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.611 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -53.98 -44.84 98.89 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -74.99 -40.07 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 71' ' ' GLY . 15.1 m -68.2 -11.95 60.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.9 mt -71.13 -43.99 66.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.172 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -73.94 -6.93 50.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.45 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 3.2 t -120.67 -4.88 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.15 -99.12 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.468 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 22.5 p 166.24 -176.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.021 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -58.73 -41.29 86.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.46 -46.48 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.38 -34.3 72.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.457 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -61.08 -48.25 82.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 t -54.88 -37.62 66.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.456 ' CD1' HD21 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -59.03 -47.12 86.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.601 ' CD2' HD13 ' A' ' 68' ' ' LEU . 2.3 t80 -66.63 -37.65 85.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.503 ' OD1' ' CD2' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -60.56 -35.89 77.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.41 HG22 ' CH2' ' A' ' 16' ' ' TRP . 13.0 m -70.64 -44.71 66.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.427 HD12 ' CG2' ' A' ' 60' ' ' ILE . 60.5 mt -63.48 -40.25 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.591 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -57.52 -53.68 55.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.495 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 5.1 t -58.79 -43.72 88.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.565 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -57.67 -41.29 81.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 61.7 t80 -62.81 -49.95 72.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 2.4 p -61.97 -33.58 74.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.5 t -60.82 -40.77 86.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.241 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.482 ' CG ' ' CB ' ' A' ' 54' ' ' SER . 3.7 t60 -63.09 -34.2 77.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.585 1.178 . . . . 0.0 109.616 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.458 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 3.4 mm-40 -84.84 -19.42 32.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.82 40.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 2.6 mp -76.12 141.23 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.72 106.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.2 m -144.51 152.61 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -140.99 12.48 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.389 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -166.4 160.09 15.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.495 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 54.4 m -60.84 -37.54 82.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -66.4 -31.76 72.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.403 ' HB2' ' CG ' ' A' ' 96' ' ' ASP . 3.8 tp10 -63.01 -41.95 99.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -69.03 -43.03 75.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.503 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 4.4 mm? -56.19 -44.21 79.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -73.49 -39.19 65.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.23 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -67.13 -61.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.591 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 3.8 pt -55.43 -29.81 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 6.0 tt0 -66.76 -54.03 27.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.07 -51.95 67.43 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -53.97 -53.08 57.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -55.04 -52.42 63.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -53.05 -43.81 66.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -54.82 42.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.7 t -50.78 -51.28 52.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -54.18 -53.65 50.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.81 -47.28 21.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -40.92 97.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.33 -60.55 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 117' ' ' GLN . 21.6 pt20 -59.63 -36.97 77.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 4.7 tm0? -56.03 -56.68 17.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.02 -59.46 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.58 -55.21 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.73 -60.14 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -40.33 -58.43 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 55.3 p -71.02 148.81 47.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.395 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -147.96 88.54 0.15 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 40.49 89.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 0.724 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 55.78 105.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 65.1 p -177.98 135.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -179.34 108.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.586 1.179 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.3 p -173.4 134.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.401 1.063 . . . . 0.0 109.244 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.82 129.34 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.152 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 179.06 151.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 176.21 167.82 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -174.41 93.09 0.31 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.148 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 144.49 30.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.561 1.822 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -171.71 113.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.7 p -160.16 150.46 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 135.64 54.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.421 1.076 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -168.88 119.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.3 pp -172.68 154.69 3.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 179.12 130.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 174.99 171.29 38.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -135.6 169.32 17.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 0.719 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -172.9 134.11 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.1 t -143.12 151.56 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.83 142.42 41.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.29 147.83 28.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.93 -176.19 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.484 ' CD1' HG21 ' A' ' 151' ' ' THR . 2.1 tt -88.23 143.39 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.8 164.97 37.37 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 -25.83 11.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.434 1.755 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -65.61 -37.06 85.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.484 HG21 ' CD1' ' A' ' 147' ' ' ILE . 0.4 OUTLIER -67.41 -37.28 82.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.158 . . . . 0.0 110.361 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.504 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 28.6 mt -67.76 -43.65 79.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.366 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -67.5 -40.03 85.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.63 77.49 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.558 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 56.6 t-105 -62.03 -44.51 96.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 108.079 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 24.6 t -45.41 -43.44 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -35.11 73.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 155' ' ' TRP . 71.3 t -63.43 -37.78 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.66 -46.4 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -23.77 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -45.53 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 168' ' ' VAL . 0.0 OUTLIER 176.17 69.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 162' ' ' LYS . . . -35.48 -47.03 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.43 ' O ' ' CD1' ' A' ' 164' ' ' PHE . 11.7 p90 -118.43 142.55 47.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.411 ' N ' HG22 ' A' ' 274' ' ' VAL . 0.0 OUTLIER 170.95 171.57 0.18 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -19.33 17.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -103.85 4.94 35.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 162' ' ' LYS . 10.7 t -103.3 -33.71 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 3.2 mm -52.56 -45.45 95.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 109.221 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.89 -36.0 2.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -35.49 79.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.385 1.053 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.439 ' CD2' HD13 ' A' ' 270' ' ' LEU . 2.2 t80 -64.3 -44.35 91.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.9 p -60.1 -34.0 72.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.99 89.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -11.57 59.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' SER . . . . . 0.467 ' OG ' ' CD2' ' A' ' 184' ' ' LEU . 25.7 t -108.05 13.89 25.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 110.046 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -43.55 102.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 41.84 61.6 2.22 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.565 1.165 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.8 -177.18 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.495 HG23 ' CD1' ' A' ' 247' ' ' ILE . 1.0 OUTLIER -110.99 -178.39 0.53 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.467 1.105 . . . . 0.0 110.39 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.499 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.4 Cg_endo -74.94 -37.99 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.428 ' CB ' ' HG ' ' A' ' 243' ' ' LEU . 0.6 OUTLIER -69.82 -31.09 68.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 183' ' ' ASP . 2.3 t0 -79.9 -49.17 12.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.467 ' CD2' ' OG ' ' A' ' 176' ' ' SER . 47.2 mt -63.3 -37.45 87.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . 0.401 ' OD1' ' OH ' ' A' ' 262' ' ' TYR . 54.1 m-20 -63.62 -37.06 85.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.475 ' CG2' ' CD1' ' A' ' 152' ' ' LEU . 0.9 OUTLIER -60.74 -43.55 97.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.44 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.558 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -70.02 -45.24 67.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.04 -22.65 67.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -74.98 -45.34 42.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 4.8 t -76.91 -9.84 58.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.392 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.427 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.5 OUTLIER -52.63 -175.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -170.15 56.45 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -108.29 28.18 12.39 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 79.29 147.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.779 . . . . 0.0 109.661 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -68.96 -38.11 79.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.17 -49.28 76.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.8 76.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.427 ' CE ' HG11 ' A' ' 191' ' ' VAL . 2.2 mmt -57.96 -33.44 68.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -61.82 -54.5 41.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 44.7 mtm -58.95 -46.34 88.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.468 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 2.6 tp -60.21 -34.36 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -68.38 -41.3 80.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -41.08 88.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.92 -47.99 67.22 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.477 HD11 ' CG1' ' A' ' 266' ' ' ILE . 15.4 mt -61.02 -53.58 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -58.54 -40.84 84.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.251 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.15 -29.54 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -65.03 -34.14 77.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.534 ' HB3' ' CH2' ' A' ' 265' ' ' TRP . . . -71.49 -50.19 33.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.09 80.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.208 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.72 80.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.09 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . 0.56 ' CZ3' HD11 ' A' ' 215' ' ' LEU . 59.7 t-105 -57.69 -53.23 60.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -56.16 -33.29 65.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -41.23 91.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . 0.56 HD11 ' CZ3' ' A' ' 212' ' ' TRP . 3.3 pp -95.21 -1.11 52.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -111.52 97.47 36.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 109.584 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.18 6.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.426 1.75 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 0.45 ' CG2' ' OE2' ' A' ' 230' ' ' GLU . 77.0 t -114.41 148.64 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -126.56 106.59 9.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.643 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -75.52 59.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -121.42 -140.2 5.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 123.9 8.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . . . . . . . . . 3.1 pt -100.51 159.41 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . . . . . . . . . . . -65.14 154.51 86.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 112.24 3.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.444 1.76 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 90.7 -25.39 13.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.117 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -73.58 106.87 5.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.409 ' HB2' ' NE2' ' A' ' 252' ' ' HIS . 0.1 OUTLIER -48.12 135.3 13.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -52.26 172.57 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . 0.45 ' OE2' ' CG2' ' A' ' 218' ' ' VAL . 38.6 tt0 -100.39 108.49 53.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . 0.574 ' HD2' ' CZ2' ' A' ' 249' ' ' TRP . 18.5 Cg_endo -74.92 -173.69 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 235' ' ' ASP . 1.9 ptp180 -118.25 174.55 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.229 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . . . . . . . . . . . -55.09 -35.18 59.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 234' ' ' SER . . . . . 0.434 ' O ' ' CG2' ' A' ' 239' ' ' THR . 0.4 OUTLIER -59.97 -36.25 76.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 109.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . 0.428 ' OD1' ' CG ' ' A' ' 232' ' ' ARG . 1.8 m-20 -67.55 -36.04 80.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.457 HD13 ' CG2' ' A' ' 261' ' ' ILE . 36.0 mt -60.56 -31.38 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -79.6 -22.27 43.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.22 20.78 29.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 239' ' ' THR . . . . . 0.434 ' CG2' ' O ' ' A' ' 234' ' ' SER . 9.0 t -89.74 -29.76 18.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 240' ' ' THR . . . . . 0.424 ' N ' HG23 ' A' ' 239' ' ' THR . 25.7 p -116.7 -0.8 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 7.2 p -144.93 153.84 41.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.99 167.27 12.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.589 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 2.3 tm? -55.98 -48.3 76.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.227 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.14 -47.23 45.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.82 -35.28 77.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . 0.467 ' HG3' ' CG ' ' A' ' 181' ' ' PRO . 24.3 mm100 -64.21 -58.65 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.589 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 0.9 OUTLIER -58.75 -39.2 76.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.62 57.72 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.574 ' CZ2' ' HD2' ' A' ' 231' ' ' PRO . 0.0 OUTLIER -65.67 -31.57 72.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 2.8 mtm -68.54 -22.78 64.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.9 p -118.09 21.97 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.1 OUTLIER -81.54 173.39 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -121.92 111.35 32.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 159.25 98.24 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.018 0.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -74.93 119.95 5.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . 0.574 HG23 ' CZ3' ' A' ' 249' ' ' TRP . 6.0 mt -95.44 128.57 37.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.45 4.26 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.559 1.821 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -44.78 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.21 -34.49 88.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -32.36 71.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 0.741 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . 0.457 ' CG2' HD13 ' A' ' 236' ' ' ILE . 10.5 mt -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . 0.499 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 12.3 t80 -65.67 -37.96 87.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -60.97 -45.59 94.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 263' ' ' LYS . 2.4 ttt180 -64.44 -31.53 72.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 110.226 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.534 ' CH2' ' HB3' ' A' ' 209' ' ' ALA . 46.5 m0 -61.94 -47.48 84.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.019 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.477 ' CG1' HD11 ' A' ' 205' ' ' ILE . 81.6 mt -57.38 -44.78 84.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -35.45 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -54.35 48.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.468 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.36 -60.27 8.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.452 ' CB ' HD12 ' A' ' 169' ' ' ILE . 13.2 mt -45.21 -32.35 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -46.85 84.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 269' ' ' GLY . 16.4 tttt -69.09 -37.58 78.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 201' ' ' LEU . 52.5 mt -62.97 -40.98 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 165' ' ' SER . 22.2 t -71.83 -44.98 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -58.85 -16.36 16.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.75 -37.84 11.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.182 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.47 17.73 15.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.03 150.15 92.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 57.36 4.56 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.444 1.76 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 280' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 281' ' ' SER . 4.2 t -173.0 -49.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 281' ' ' SER . . . . . 0.413 ' N ' HG22 ' A' ' 280' ' ' THR . 6.2 t 65.35 141.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -152.48 148.71 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -117.98 156.38 28.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -123.99 119.61 30.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.45 1.093 . . . . 0.0 109.655 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -42.28 151.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.568 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -79.96 152.45 29.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.631 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.1 173.22 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.619 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 66.47 134.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.602 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.611 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.14 103.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.02 142.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.13 142.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 p 177.83 100.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.975 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.468 ' CG1' HG21 ' A' ' 34' ' ' ILE . 3.0 t -157.5 -65.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.596 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -98.2 152.21 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.93 179.65 7.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.007 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.33 -57.91 17.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.564 1.165 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.71 -41.02 25.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.24 -38.93 81.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 0.807 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 9' ' ' SER . 5.3 tp -67.41 -42.82 82.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.55 -32.13 62.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -45.63 41.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.605 ' CE3' ' CD1' ' A' ' 85' ' ' LEU . 68.4 t-105 -57.14 -48.19 79.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.019 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.8 -25.38 67.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -87.62 47.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.394 1.059 . . . . 0.0 109.366 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.9 mm -131.23 141.19 46.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -108.56 152.12 25.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.442 ' HG ' ' CA ' ' A' ' 28' ' ' GLN . 32.2 mt -109.19 -145.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -94.58 166.4 15.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 130.13 12.95 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.12 -1.12 60.65 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.25 -157.09 14.36 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 27' ' ' LYS . 11.5 tptt -56.24 -34.11 66.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.63 0.841 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 5.9 tttt 81.06 -2.9 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.224 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.442 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 14.7 pt20 -172.78 155.68 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.507 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -81.72 153.21 26.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.0 169.56 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -28.29 68.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -46.15 91.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -62.93 -35.71 80.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.637 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.468 HG21 ' CG1' ' A' ' 7' ' ' VAL . 3.5 mt -62.71 -49.46 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.93 -44.28 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.386 1.054 . . . . 0.0 109.332 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.403 ' CZ3' ' HB2' ' A' ' 78' ' ' LEU . 87.2 t90 -62.59 -40.04 95.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.93 -53.11 62.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -34.87 74.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -41.06 94.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.52 -34.86 79.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 47.0 mt -58.74 -49.46 77.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -56.93 -41.59 78.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -58.47 -38.15 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -75.98 -7.12 53.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 73.24 48.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 10.5 p -124.97 150.08 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -64.11 131.1 94.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.86 18.34 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.93 -12.17 56.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.5 mt -72.64 -40.69 66.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.757 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 tp -68.57 -9.97 52.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.21 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.38 -22.06 32.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -125.71 152.01 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.455 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.503 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 33.8 t -66.46 -30.94 71.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.24 -49.9 67.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -69.94 -36.07 72.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.63 -42.59 98.15 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.549 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 1.4 ttp180 -59.98 -37.49 79.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.25 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -38.51 88.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 1.4 mp -63.28 -65.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 79' ' ' TYR . 9.8 tp -51.7 -27.49 11.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.01 -48.58 25.89 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -90.8 16.22 9.72 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 0.79 . . . . 0.0 110.224 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.475 HD23 ' CD2' ' A' ' 79' ' ' TYR . 20.6 tp -111.95 -25.29 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.6 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.4 tm0? -52.85 -45.41 97.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.7 Cg_endo -74.95 -39.87 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 71' ' ' GLY . 67.3 m -68.48 -12.14 60.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.594 HD11 ' CD2' ' A' ' 79' ' ' TYR . 7.2 mt -71.21 -43.92 66.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.31 -6.67 49.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.37 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.46 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.54 -4.59 9.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -82.08 -99.86 0.44 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 14.4 p 167.84 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -41.41 87.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -71.58 -46.38 59.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.3 -34.21 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.465 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 45.0 ttm180 -61.68 -47.81 83.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -36.38 65.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.946 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -60.31 -47.31 86.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.594 ' CD2' HD11 ' A' ' 68' ' ' LEU . 2.5 t80 -64.52 -42.15 95.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.524 ' OD1' ' CD2' ' A' ' 101' ' ' LEU . 1.1 t-20 -54.99 -33.19 62.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.6 m -70.36 -48.28 57.07 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.607 1.192 . . . . 0.0 110.405 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.435 ' CD1' HD23 ' A' ' 78' ' ' LEU . 5.5 mt -63.27 -32.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.482 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -59.63 -56.14 25.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.492 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.9 t -57.81 -42.22 81.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.605 ' CD1' ' CE3' ' A' ' 16' ' ' TRP . 1.8 tp -56.7 -46.51 81.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.549 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 49.0 t80 -59.75 -33.9 72.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.485 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -72.67 -35.77 67.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 108.257 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.9 t -65.35 -32.95 60.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.503 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 17.7 m-70 -69.14 -38.99 79.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.494 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 0.3 OUTLIER -84.88 -20.09 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' CYS . 25.6 ttt180 71.47 47.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.494 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.7 mp -86.25 141.74 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -62.22 105.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.485 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 31.1 m -134.38 173.01 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.46 -48.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.81 171.2 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.492 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 55.6 m -59.65 -46.83 87.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 110.388 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -31.16 69.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -68.41 -36.26 78.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.48 ' O ' ' CG2' ' A' ' 104' ' ' ILE . . . -69.4 -47.22 64.86 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.524 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 1.2 mm? -55.71 -37.69 68.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.9 -47.67 36.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -57.79 8.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.482 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 2.1 pt -54.88 -30.49 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -69.04 -53.95 17.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -51.79 68.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -53.23 -52.61 58.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.208 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -55.0 -52.48 62.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -53.03 -44.01 67.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -58.99 -57.62 12.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.375 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.43 -46.17 26.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.01 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.85 -55.32 23.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -56.62 16.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -44.51 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.98 90.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -56.95 -60.48 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.349 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 118' ' ' ALA . 18.9 pt20 -53.07 -45.94 68.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' A' ' 117' ' ' GLN . . . -53.39 -56.46 16.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.47 ' O ' ' CG2' ' A' ' 122' ' ' THR . . . -43.54 -34.78 1.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.74 -60.51 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' THR . 0.4 OUTLIER -47.16 -65.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 109.224 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 119' ' ' ALA . 2.0 p 38.03 69.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -157.15 164.5 32.88 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.475 1.11 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 173.82 167.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.303 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -52.58 167.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.239 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.8 170.48 21.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.107 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.02 170.42 14.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -141.58 176.35 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.97 170.48 12.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -143.86 171.45 14.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -140.01 167.81 21.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.516 ' CG ' ' HD2' ' A' ' 133' ' ' PRO . 0.5 OUTLIER -132.59 155.76 80.86 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 132' ' ' TYR . 18.4 Cg_endo -74.96 179.7 5.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 111.077 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 3.6 tp -173.96 148.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 66.3 t 63.48 140.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -173.24 171.38 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 174.51 167.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.395 1.06 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.5 pp -175.32 160.87 2.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.373 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 179.14 159.11 0.62 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -160.62 162.18 33.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.412 1.07 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.14 147.96 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -155.02 167.73 29.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.6 p -160.27 148.05 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.621 ' CD2' ' CG2' ' A' ' 247' ' ' ILE . 5.3 m-70 -87.49 142.62 27.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.64 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.9 148.38 28.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.36 -176.48 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.477 HD12 ' CG2' ' A' ' 151' ' ' THR . 1.0 OUTLIER -86.33 143.12 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.05 160.22 52.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -23.05 14.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.5 -37.31 86.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.477 ' CG2' HD12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -67.18 -36.77 82.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.493 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 26.9 mt -65.61 -42.83 91.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -43.68 80.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.18 77.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -62.27 -46.92 86.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 40.7 t -48.28 -43.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -61.51 -36.94 81.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 1.106 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.83 -37.64 73.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 15.9 t -68.92 -34.52 64.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.09 -40.0 60.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.42 -76.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 3.0 mmpt? -69.23 -70.9 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.34 -48.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 277' ' ' TYR . 23.6 p90 -162.29 126.68 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.27 170.1 0.86 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.026 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -18.95 18.48 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.561 1.821 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.89 1.54 55.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.417 ' N ' ' HD2' ' A' ' 170' ' ' PRO . 0.3 OUTLIER -104.98 -33.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.2 mm -55.76 -44.52 99.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.01 -35.82 2.9 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.42 1.747 . . . . 0.0 111.083 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.27 -39.67 93.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.52 ' CE2' ' HE2' ' A' ' 187' ' ' MET . 39.8 t80 -66.37 -29.75 69.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.6 p -73.18 -27.08 61.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.56 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.467 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -76.64 -30.39 56.82 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 59.5 p -97.42 13.94 28.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.939 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -41.96 104.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.218 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.23 73.24 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -104.13 -174.39 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 0.798 . . . . 0.0 109.251 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.553 ' HB ' ' HD2' ' A' ' 181' ' ' PRO . 1.9 p -103.73 -179.18 0.73 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 110.438 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.553 ' HD2' ' HB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -38.83 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.58 -36.65 76.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . 0.425 ' C ' ' OD1' ' A' ' 183' ' ' ASP . 3.9 t0 -76.7 -48.67 18.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.229 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.567 HD12 ' CD2' ' A' ' 262' ' ' TYR . 32.4 mt -59.61 -47.72 84.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -55.46 -36.23 66.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.467 HG22 ' CD2' ' A' ' 152' ' ' LEU . 0.9 OUTLIER -64.64 -46.89 80.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.434 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.52 ' HE2' ' CE2' ' A' ' 172' ' ' PHE . 1.7 ttp -63.36 -45.38 91.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 111.027 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.46 HD22 ' CE ' ' A' ' 198' ' ' MET . 13.1 mt -71.11 -18.94 62.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.03 -45.55 33.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.487 ' OG1' ' CG2' ' A' ' 156' ' ' VAL . 13.1 t -71.03 -17.48 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.427 HG12 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -51.12 -179.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 171.15 59.6 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.549 1.156 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -97.21 -52.77 1.43 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.13 130.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 0.785 . . . . 0.0 109.625 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -57.49 -39.72 77.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.97 -49.43 75.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . 0.412 ' HB3' ' CG2' ' A' ' 273' ' ' ILE . . . -59.44 -49.39 77.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.46 ' CE ' HD22 ' A' ' 188' ' ' LEU . 3.7 mmt -58.05 -33.26 68.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -54.44 41.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.231 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -43.85 98.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.478 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 2.9 tp -57.61 -37.15 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -68.16 -36.84 80.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.93 -46.46 74.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.54 -48.97 70.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.476 HD12 ' CG1' ' A' ' 266' ' ' ILE . 14.0 mt -58.86 -53.46 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -58.12 -39.01 77.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.22 -29.8 70.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . 0.425 ' HB3' ' CE2' ' A' ' 265' ' ' TRP . 0.0 OUTLIER -66.79 -36.9 83.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.428 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -70.69 -49.76 43.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.92 75.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -34.42 76.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . 0.401 ' CE2' ' CD2' ' A' ' 216' ' ' HIS . 74.1 t-105 -60.48 -64.86 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -56.16 -33.17 64.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -40.05 88.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 2.5 pp -93.53 3.48 55.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . 0.401 ' CD2' ' CE2' ' A' ' 212' ' ' TRP . 0.2 OUTLIER -111.62 97.22 35.99 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.539 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 109.93 3.02 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 29.8 m -92.8 60.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -169.32 77.61 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.604 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -178.05 96.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 91.05 139.69 8.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.572 1.17 . . . . 0.0 111.064 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 152.38 40.99 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.46 ' HB ' ' CZ ' ' A' ' 229' ' ' ARG . 0.3 OUTLIER -59.31 125.97 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 227' ' ' GLN . . . -57.16 154.1 22.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 110.38 3.11 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.445 1.761 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 95.7 -24.02 31.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.157 . . . . 0.0 111.061 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 224' ' ' ALA . 34.3 mt-30 -72.26 170.1 14.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.552 ' HG2' ' CD1' ' A' ' 249' ' ' TRP . 2.7 tpp -108.35 120.32 42.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.46 ' CZ ' ' HB ' ' A' ' 223' ' ' ILE . 2.4 ttt180 -48.81 177.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.31 105.63 50.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . 0.584 ' HD2' ' CH2' ' A' ' 249' ' ' TRP . 18.3 Cg_endo -74.92 -168.6 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -108.44 176.91 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . 0.428 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -59.87 -37.29 92.34 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 13.6 m -60.11 -29.53 68.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.944 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.3 OUTLIER -74.44 -35.97 63.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.408 HD13 ' CH2' ' A' ' 265' ' ' TRP . 32.3 mt -60.62 -29.61 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.29 62.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 84.29 23.0 53.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.45 -38.26 13.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 110.41 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 14.5 m -104.06 -0.54 28.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.408 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 241' ' ' SER . . . . . 0.407 ' CB ' ' OD1' ' A' ' 235' ' ' ASP . 2.6 t -135.95 138.35 42.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.6 OUTLIER -74.33 174.88 8.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.363 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.474 HD21 ' CB ' ' A' ' 180' ' ' THR . 2.9 tm? -66.27 -59.9 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -49.36 -24.36 1.88 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -49.59 43.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . 0.42 ' NE2' ' HG3' ' A' ' 181' ' ' PRO . 24.9 mt-30 -69.5 -41.65 75.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.621 ' CG2' ' CD2' ' A' ' 144' ' ' HIS . 47.5 mm -51.02 -58.54 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . 0.42 ' O ' ' CD2' ' A' ' 252' ' ' HIS . . . -60.19 -44.41 97.43 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.584 ' CH2' ' HD2' ' A' ' 231' ' ' PRO . 0.3 OUTLIER -56.0 -31.48 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 7.9 ttm -70.05 -38.86 75.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 14.3 t -105.3 22.38 15.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.367 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.6 OUTLIER -85.0 171.8 11.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.459 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 66.6 m-80 -121.94 111.2 32.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . 0.459 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.1 Cg_endo -75.05 159.21 98.29 Favored 'Cis proline' 0 C--N 1.359 1.082 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.944 0.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . 0.573 HG23 ' CE3' ' A' ' 249' ' ' TRP . 1.5 mt -95.17 116.37 66.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 54.96 3.83 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.448 1.762 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.76 -40.36 60.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.27 -40.49 98.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.15 -32.35 70.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 110.336 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . 0.549 ' O ' ' CD1' ' A' ' 265' ' ' TRP . 73.0 mt -64.71 -46.6 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . 0.567 ' CD2' HD12 ' A' ' 184' ' ' LEU . 6.4 t80 -74.77 -39.09 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -45.6 93.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -62.6 -33.07 74.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 261' ' ' ILE . 51.3 m0 -61.97 -47.87 82.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.476 ' CG1' HD12 ' A' ' 205' ' ' ILE . 77.6 mt -57.77 -45.08 87.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.96 -35.61 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -54.85 42.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.478 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.14 -59.35 9.65 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.56 ' CB ' ' CD1' ' A' ' 169' ' ' ILE . 13.6 mt -44.35 -33.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -63.78 -46.47 85.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 269' ' ' GLY . 4.2 tttt -67.9 -37.5 81.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . 0.412 ' CG2' ' HB3' ' A' ' 197' ' ' ALA . 49.8 mt -62.9 -43.02 98.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.99 -46.0 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -58.59 -16.47 15.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 4.2 ttt -93.62 -37.8 11.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 0.554 ' HB3' ' CD1' ' A' ' 164' ' ' PHE . 0.2 OUTLIER -96.77 18.08 15.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 153.13 92.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.99 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.428 1.751 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 3.0 m -131.21 121.17 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 91.4 p -113.68 167.22 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 1.8 tp -131.93 147.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.71 158.8 17.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -176.84 137.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.64 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -177.29 172.59 1.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.92 132.58 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -176.78 151.7 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.403 1.065 . . . . 0.0 109.656 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.01 133.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.588 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.64 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 4' ' ' ARG . . . -177.25 154.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 3' ' ' ALA . 0.6 OUTLIER -38.95 153.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 54.59 176.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 m 69.81 93.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.47 ' CG1' HG21 ' A' ' 34' ' ' ILE . 37.0 t -153.22 -64.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.603 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -103.66 155.15 18.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.86 179.95 7.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 0.0 109.975 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.59 -58.03 16.73 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.93 -40.67 20.59 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.78 -39.9 82.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 0.796 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.51 ' CB ' ' O ' ' A' ' 9' ' ' SER . 4.0 tp -67.7 -44.18 78.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -55.86 -37.08 68.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -70.31 -45.42 66.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.633 ' CE3' ' CD1' ' A' ' 85' ' ' LEU . 39.1 t-105 -56.29 -53.25 59.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.02 -15.78 57.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.54 10.83 14.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 2.4 mm -95.03 144.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 156.78 19.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.492 HD21 ' CE2' ' A' ' 29' ' ' TYR . 0.5 OUTLIER -137.68 -143.63 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.199 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.483 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 167.71 -53.95 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.04 128.4 11.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.788 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.76 -0.74 61.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.567 1.167 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.25 104.55 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 27' ' ' LYS . 1.3 tppt? -176.48 -70.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 1.1 tttt 81.08 -1.9 1.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 25.8 tt0 -165.48 143.2 5.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.571 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -87.64 151.05 23.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -143.02 172.39 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.41 -27.82 68.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -45.71 92.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.404 ' CE1' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -63.85 -36.01 82.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.6 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.47 HG21 ' CG1' ' A' ' 7' ' ' VAL . 4.3 mt -63.66 -50.17 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.92 -43.35 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -62.82 -40.61 97.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 107.981 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.4 -52.56 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.365 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -34.83 76.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -60.91 -41.04 95.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.326 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -64.63 -36.77 85.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 85.5 mt -59.21 -47.48 85.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -57.1 -39.57 75.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -58.15 -38.73 77.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -76.34 -2.81 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 70.72 47.0 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.571 1.169 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 7.4 p -124.79 150.03 29.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -64.44 134.38 95.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -18.76 18.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.436 1.756 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.51 -12.36 55.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.0 mt -72.9 -32.86 65.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 10.5 tp -77.87 -16.01 58.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.47 -22.19 54.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.3 p -125.87 152.59 45.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.486 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 1.9 t -67.19 -30.48 70.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.9 -49.81 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.92 -35.06 91.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.7 m -63.89 -41.05 97.8 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.0 ttp85 -59.91 -37.8 80.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -65.69 -37.58 86.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.441 ' CG2' HD13 ' A' ' 82' ' ' ILE . 1.5 mp -75.03 -75.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 79' ' ' TYR . 11.5 tp -41.67 -34.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.58 -49.32 74.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.8 OUTLIER -97.6 23.14 8.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 78' ' ' LEU . 15.0 tp -111.13 -25.68 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.604 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.8 tm0? -53.11 -45.13 98.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.9 -40.3 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 71' ' ' GLY . 19.3 m -68.58 -11.7 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.601 HD12 ' CD2' ' A' ' 79' ' ' TYR . 6.7 mt -71.2 -43.71 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -73.72 -7.19 51.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.431 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 3.4 t -120.84 -4.93 9.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -80.63 -98.72 0.34 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 0.0 111.066 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.475 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 23.9 p 165.85 -176.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -41.36 88.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 12.4 pt-20 -71.33 -46.05 61.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.436 ' CD2' HD21 ' A' ' 68' ' ' LEU . 6.7 tt -59.98 -34.33 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 75.1 ttt180 -61.01 -48.96 79.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.223 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -37.25 65.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.054 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.459 ' CD1' HD22 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -59.77 -47.21 86.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.601 ' CD2' HD12 ' A' ' 68' ' ' LEU . 1.9 t80 -65.8 -37.63 86.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.502 ' OD1' ' CG2' ' A' ' 97' ' ' THR . 0.2 OUTLIER -62.94 -32.03 73.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 m -70.18 -48.17 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.435 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.441 HD13 ' CG2' ' A' ' 60' ' ' ILE . 62.9 mt -64.06 -40.55 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.538 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -53.05 -56.59 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.9 t -58.26 -42.24 83.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.633 ' CD1' ' CE3' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -56.86 -36.69 70.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -59.69 -50.49 73.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.94 -37.02 85.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.3 t -63.66 -38.2 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' A' ' 54' ' ' SER . 4.3 m-70 -58.03 -40.23 80.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.485 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -91.54 -7.45 50.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 65.31 40.87 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.485 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.5 mp -75.88 141.24 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.96 91.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.239 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.3 m -110.89 173.41 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.37 -77.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.33 170.95 7.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.502 ' CG2' ' OD1' ' A' ' 80' ' ' ASN . 22.0 m -60.89 -43.05 99.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.371 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -31.69 72.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.13 -31.61 71.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -70.99 -40.94 71.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 1.9 mp -56.7 -48.0 78.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -72.18 -40.25 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -64.72 -62.48 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.538 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.6 pt -55.97 -28.05 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -68.4 -53.49 23.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -56.03 -51.97 65.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.78 -52.19 57.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -55.05 -52.74 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -53.02 -43.86 66.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -58.93 -55.6 33.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -50.51 48.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.046 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.22 -54.24 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -51.32 -53.64 33.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.65 -50.63 42.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.55 -54.38 38.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -50.29 -50.13 51.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -54.65 -54.74 37.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.97 -42.03 65.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.37 90.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.42 8.42 19.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.605 1.19 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -100.64 -55.49 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.3 p -38.69 121.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -123.07 -61.71 0.2 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 63.74 130.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -174.4 167.8 3.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 80.8 p -158.99 164.31 35.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.85 162.8 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 110.348 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.3 p -162.73 160.14 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 109.273 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.57 143.47 0.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 179.76 166.49 1.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -173.98 143.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -144.57 93.42 5.77 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.61 34.99 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 111.042 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.416 ' C ' ' CD1' ' A' ' 134' ' ' ILE . 0.0 OUTLIER -169.9 128.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.88 156.93 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.09 97.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 110.248 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.8 p30 -83.23 131.16 35.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.19 63.86 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.4 1.062 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.03 158.83 30.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -145.57 62.03 0.47 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.22 162.89 25.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.34 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.47 101.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -101.06 146.56 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.89 142.35 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.577 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -82.33 147.88 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.85 175.23 8.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 151' ' ' THR . 0.6 OUTLIER -92.57 143.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.04 159.98 53.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.952 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.01 14.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -65.83 -37.33 85.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.476 HG23 ' CD1' ' A' ' 147' ' ' ILE . 0.6 OUTLIER -69.07 -32.54 72.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.495 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 24.1 mt -63.7 -42.69 97.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -68.07 -44.5 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.38 -49.01 77.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.492 ' CE2' ' CG2' ' A' ' 159' ' ' VAL . 26.4 t-105 -62.15 -47.86 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 36.1 t -45.62 -43.42 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.44 -36.73 83.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.45 ' CG1' ' HE3' ' A' ' 171' ' ' MET . 93.1 t -63.37 -44.83 99.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.492 ' CG2' ' CE2' ' A' ' 155' ' ' TRP . 92.3 t -58.71 -46.35 90.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -30.61 71.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.72 -56.16 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -164.4 66.27 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 162' ' ' LYS . . . -38.69 -49.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.56 ' CD1' HG21 ' A' ' 273' ' ' ILE . 1.7 m-85 -110.25 121.83 46.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.98 168.78 0.25 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.12 18.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.604 1.844 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.77 1.75 53.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 162' ' ' LYS . 0.3 OUTLIER -103.67 -33.9 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 18.5 mm -56.97 -44.49 99.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.0 Cg_endo -75.1 -35.96 2.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.586 1.835 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.45 ' HE3' ' CG1' ' A' ' 158' ' ' VAL . 1.6 mmm -62.2 -40.89 97.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.564 ' CZ ' HG23 ' A' ' 266' ' ' ILE . 6.8 t80 -69.11 -44.4 72.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.8 p -58.9 -37.56 76.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.64 91.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.432 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -74.21 -13.63 60.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' SER . . . . . 0.441 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 5.3 p -104.86 14.01 30.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.071 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.23 108.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 39.33 65.83 0.79 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.74 -178.03 3.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.553 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.5 OUTLIER -115.25 -174.44 0.27 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.082 . . . . 0.0 110.393 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -41.63 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -34.22 73.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.25 -45.12 27.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 176' ' ' SER . 19.9 mt -63.84 -40.58 96.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.02 -35.67 77.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.456 HG22 ' CD2' ' A' ' 152' ' ' LEU . 0.8 OUTLIER -60.86 -46.79 89.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.481 ' HE1' ' CD2' ' A' ' 155' ' ' TRP . 1.6 ttt -70.21 -40.89 74.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.5 mp -71.39 -12.82 61.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -84.73 -48.92 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.441 ' CG2' HD21 ' A' ' 152' ' ' LEU . 4.2 t -81.19 -0.89 42.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.384 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.472 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.9 OUTLIER -59.71 -176.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -159.21 53.22 0.37 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 197' ' ' ALA . . . -107.54 27.47 15.13 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 74.29 149.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 0.813 . . . . 0.0 109.626 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -37.99 73.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.216 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.42 76.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 193' ' ' GLY . . . -59.18 -48.91 79.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.472 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.89 -37.83 74.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -54.5 31.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -58.67 -29.43 66.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 273' ' ' ILE . 0.9 OUTLIER -67.0 -34.34 77.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 3.6 tptm -68.92 -31.22 69.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.23 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 0.4 OUTLIER -67.22 -46.77 72.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -48.7 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 17.3 mt -58.73 -55.03 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 36.8 t-20 -57.87 -40.0 79.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 5.5 mm-40 -65.65 -29.46 70.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 265' ' ' TRP . 0.4 OUTLIER -67.94 -29.35 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.455 ' CA ' ' HA3' ' A' ' 233' ' ' GLY . . . -73.2 -50.21 23.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.16 81.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -65.23 -40.71 94.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . 0.491 ' CB ' ' O ' ' A' ' 208' ' ' GLU . 43.6 t-105 -57.66 -59.93 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 108.025 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.1 -33.07 64.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -59.16 -35.33 73.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 110.293 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.69 -1.63 22.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 212' ' ' TRP . 13.3 t60 -111.34 100.9 49.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.571 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 218' ' ' VAL . 18.2 Cg_endo -75.04 121.18 6.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.418 1.747 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 0.447 ' CG1' ' HG2' ' A' ' 230' ' ' GLU . 2.9 t -39.69 130.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 220' ' ' ALA . 0.4 OUTLIER -127.45 -176.97 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.075 . . . . 0.0 109.591 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 219' ' ' HIS . . . 83.58 179.59 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -80.41 -142.77 3.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -174.76 2.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -132.99 122.05 45.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . 0.481 ' CB ' ' HB2' ' A' ' 227' ' ' GLN . . . -50.33 149.38 5.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 95.12 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 113.58 -5.26 24.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 224' ' ' ALA . 1.6 tp60 -91.55 -160.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 110.334 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.673 ' CE ' ' CE3' ' A' ' 249' ' ' TRP . 4.8 tpp -52.09 -173.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -153.08 53.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.341 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . 0.447 ' HG2' ' CG1' ' A' ' 218' ' ' VAL . 0.4 OUTLIER 72.7 152.56 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 71.97 4.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.41 176.77 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . 0.455 ' HA3' ' CA ' ' A' ' 209' ' ' ALA . . . -77.38 -38.87 27.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.558 1.162 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 6.3 m -68.3 -47.38 67.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 110.054 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -42.34 93.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.568 HG22 ' CZ3' ' A' ' 265' ' ' TRP . 27.2 mt -60.62 -27.79 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.9 -21.83 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.38 20.12 30.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 14.6 t -90.13 -37.67 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.423 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 20.5 m -101.75 -0.96 33.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.571 1.17 . . . . 0.0 110.384 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 4.7 t -145.68 152.54 39.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.043 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.548 ' CG2' ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -91.37 175.98 6.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.402 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.587 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 3.1 tm? -58.44 -59.13 5.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.57 -50.12 43.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . 0.467 ' CB ' ' HE3' ' A' ' 228' ' ' MET . 0.4 OUTLIER -61.24 -31.58 71.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . 0.452 ' HG3' ' CG1' ' A' ' 258' ' ' VAL . 1.9 tp60 -69.56 -70.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.587 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 0.8 OUTLIER -40.54 -38.66 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.67 -51.42 58.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.673 ' CE3' ' CE ' ' A' ' 228' ' ' MET . 0.7 OUTLIER -61.33 -37.7 84.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 11.3 mtm -61.06 -23.38 65.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.7 p -118.14 22.32 12.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.584 ' CE1' ' CZ3' ' A' ' 249' ' ' TRP . 0.1 OUTLIER -81.41 172.79 13.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.569 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 1.8 m-20 -122.41 111.01 31.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -75.07 159.15 98.36 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.97 -2.512 . . . . 0.0 111.0 0.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -74.93 119.83 5.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.79 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 7.8 mt -88.94 134.28 33.82 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 57.93 4.71 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.476 ' CG2' HG12 ' A' ' 236' ' ' ILE . 2.6 t -62.41 -65.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.06 -33.67 84.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -69.34 -32.33 71.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . 0.688 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 10.1 mt -75.32 -45.32 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . 0.546 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.1 t80 -64.19 -47.37 80.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.49 -38.76 72.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 2.5 mtt180 -66.29 -33.17 75.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.688 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 52.0 m0 -61.92 -45.06 95.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.06 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.564 HG23 ' CZ ' ' A' ' 172' ' ' PHE . 87.6 mt -57.16 -46.65 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -28.75 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -57.04 13.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.15 -56.87 19.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.432 1.083 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.415 ' CD1' ' CG2' ' A' ' 266' ' ' ILE . 12.1 mt -45.08 -36.62 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -63.03 -42.1 99.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.5 OUTLIER -67.48 -38.9 85.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . 0.56 HG21 ' CD1' ' A' ' 164' ' ' PHE . 34.2 mt -60.67 -45.77 96.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.71 -46.03 95.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -59.73 -16.4 27.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 7.7 tpt -97.48 -37.89 9.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.05 17.29 12.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.054 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.01 150.11 92.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.17 4.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 67.4 p -60.58 121.31 11.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.385 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.73 164.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -173.9 140.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.25 129.04 6.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.62 171.52 19.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.592 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -157.56 171.67 19.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.53 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -152.18 174.55 13.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.591 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 288' ' ' HIS . 7.6 p80 -175.8 152.81 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 287' ' ' HIS . 14.9 m80 -157.47 167.15 31.04 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.632 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.576 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.479 ' CA ' ' OG ' ' A' ' 38' ' ' SER . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -177.92 -59.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.36 170.81 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.249 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.0 -164.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m 77.29 95.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.459 HG13 ' CG2' ' A' ' 34' ' ' ILE . 22.9 t -154.31 -67.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.617 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.6 mt -103.66 152.11 22.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.16 179.51 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.28 -58.41 14.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.33 -41.14 26.64 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.95 -40.11 83.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 0.712 . . . . 0.0 110.323 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 9' ' ' SER . 5.2 tp -66.02 -44.12 85.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.07 -33.06 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.95 -45.42 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.617 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 33.5 t-105 -56.53 -51.84 67.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -26.59 62.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.42 47.27 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.543 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.9 mm -130.91 134.53 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -91.35 126.9 36.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 21' ' ' LEU . 2.0 mt -66.29 -127.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.5 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 170.56 -54.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.5 Cg_endo -74.93 124.96 9.04 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.446 1.761 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.77 -0.83 61.16 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.447 1.092 . . . . 0.0 111.028 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.87 -109.72 0.6 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.23 60.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 0.782 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -90.76 -161.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -118.3 163.29 16.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.537 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -86.96 148.62 25.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.32 173.31 11.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -61.77 -26.99 68.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -61.72 -44.08 97.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -35.82 82.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.626 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.459 ' CG2' HG13 ' A' ' 7' ' ' VAL . 4.6 mt -63.6 -50.1 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.7 -43.98 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -62.77 -39.88 95.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 107.972 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.456 ' CB ' HG21 ' A' ' 81' ' ' THR . . . -59.12 -53.03 63.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.479 ' OG ' ' CA ' ' A' ' 2' ' ' GLY . 3.9 t -62.46 -34.89 77.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.928 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -41.2 94.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.07 -34.92 79.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 46.8 mt -58.02 -50.01 74.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.22 -41.41 79.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.425 1.078 . . . . 0.0 110.338 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -58.22 -37.57 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -75.99 0.15 19.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 69.82 44.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 6.7 p -124.97 150.01 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -64.39 129.78 94.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.73 18.47 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.14 -10.06 58.56 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 26.4 mt -72.9 -38.58 66.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 9.2 tp -69.12 -8.93 49.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.43 -21.79 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -125.66 156.44 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.396 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.0 p -70.03 -29.9 67.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -36.74 72.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.454 ' CA ' ' HB3' ' A' ' 50' ' ' LEU . . . -71.81 -43.43 50.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.586 1.179 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.2 p -67.81 -36.16 79.9 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -60.04 -37.55 80.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -69.94 -30.15 67.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.461 ' CG2' HD11 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -74.6 -75.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.554 HD12 ' CD2' ' A' ' 79' ' ' TYR . 10.5 tp -44.21 -36.2 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.31 -49.19 81.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -97.3 21.1 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 110.224 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.448 HD21 ' CD2' ' A' ' 79' ' ' TYR . 13.5 tp -106.63 -25.63 11.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.609 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 7.7 tm0? -53.25 -45.03 98.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.01 -40.6 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -68.43 -11.8 60.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.022 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.59 HD11 ' CD2' ' A' ' 79' ' ' TYR . 6.2 mt -70.86 -44.1 67.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -7.33 52.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.448 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.8 t -119.82 -5.64 10.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -80.71 -98.22 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 24.6 p 167.01 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.746 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -61.06 -40.74 94.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 110.235 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -46.93 59.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.44 ' CD2' HD23 ' A' ' 68' ' ' LEU . 8.1 tt -60.72 -34.49 74.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.469 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.22 -43.85 98.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.174 . . . . 0.0 110.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.43 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 7.4 t -61.54 -30.51 70.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.048 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -66.37 -45.93 78.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.59 ' CD2' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -60.54 -42.3 96.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.529 ' C ' ' ND2' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -57.69 -36.7 72.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.456 HG21 ' CB ' ' A' ' 37' ' ' ALA . 80.8 m -62.96 -48.38 79.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.461 HD11 ' CG2' ' A' ' 60' ' ' ILE . 7.4 mt -66.36 -36.33 77.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.549 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -56.6 -59.95 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.494 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.9 t -58.11 -41.52 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.571 HD11 ' CZ3' ' A' ' 16' ' ' TRP . 1.5 mp -56.82 -34.98 68.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 21.8 t80 -62.48 -47.12 85.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -37.34 85.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.4 t -64.28 -41.66 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -55.79 -40.22 72.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.636 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.456 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 1.6 mm-40 -86.8 -18.33 31.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.402 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.3 OUTLIER 78.08 37.42 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 2.4 mp -75.83 141.23 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.95 95.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.426 ' CG2' HD11 ' A' ' 19' ' ' ILE . 7.6 m -110.94 173.65 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -147.01 -51.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.23 170.38 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.494 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.3 m -60.39 -45.15 94.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -31.59 69.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.55 -40.59 93.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.48 ' CB ' HG22 ' A' ' 84' ' ' VAL . . . -69.94 -38.53 76.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 1.4 mp -56.68 -46.75 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.5 -41.77 65.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.604 1.19 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -63.32 -62.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.549 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.6 pt -56.22 -28.95 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -56.75 -53.95 51.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.33 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -59.17 -48.75 80.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.02 -50.94 60.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.367 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.22 -54.89 37.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' A' ' 113' ' ' LYS . 9.2 t30 -54.49 -36.18 63.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -61.96 -51.73 66.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.51 -65.57 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.446 ' CG ' ' HA ' ' A' ' 109' ' ' ASN . 0.0 OUTLIER -43.58 -40.77 4.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 13.0 tmtt? -60.19 -59.06 6.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -48.59 -49.62 36.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.45 -55.51 24.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -50.3 -49.73 52.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.68 -47.15 40.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.26 -58.39 6.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -42.04 -32.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.82 -57.35 7.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' THR . 3.2 t70 -92.71 33.06 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' ASP . 1.2 m -38.52 105.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.435 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.22 93.42 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.108 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 40.65 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.263 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.6 t30 175.99 163.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 109.233 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.87 119.82 38.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -175.43 164.31 3.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.8 p -174.45 166.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.99 154.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -176.73 162.22 2.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -176.38 159.43 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.53 ' CG ' ' O ' ' A' ' 132' ' ' TYR . 11.4 p90 -170.76 93.58 0.46 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.13 4.7 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.3 tt -158.29 172.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.7 p -166.71 140.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -117.93 171.38 8.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -154.39 167.8 28.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.367 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.5 pp -147.23 150.63 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -149.38 170.53 18.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -109.47 -161.18 19.23 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -139.06 155.54 47.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 0.776 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.86 162.27 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.64 177.4 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.95 142.41 35.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.626 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.2 129.23 34.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.98 -177.57 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.603 HG12 ' CG2' ' A' ' 151' ' ' THR . 1.3 tt -80.65 135.16 25.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.04 167.13 22.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.14 9.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -37.2 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.603 ' CG2' HG12 ' A' ' 147' ' ' ILE . 1.5 t -67.14 -32.35 73.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.45 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 29.1 mt -69.44 -43.48 73.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -67.74 -43.9 78.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.14 -48.91 79.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.528 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 51.7 t-105 -61.99 -45.63 92.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 24.3 t -47.25 -43.55 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -68.28 -35.95 78.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.56 -39.87 86.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 192' ' ' GLY . 93.4 t -59.87 -46.42 93.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -58.36 -33.55 69.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.253 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.78 -44.4 77.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 163' ' ' ALA . 2.7 mttp 172.42 73.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 162' ' ' LYS . . . -37.69 -49.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.419 ' O ' ' CD1' ' A' ' 164' ' ' PHE . 11.5 p90 -107.61 127.99 54.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.529 ' N ' ' CG1' ' A' ' 168' ' ' VAL . 0.0 OUTLIER 170.41 166.38 0.2 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -17.73 19.49 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.416 ' C ' ' HD2' ' A' ' 170' ' ' PRO . 73.8 mt-10 -92.06 -17.66 24.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 165' ' ' SER . 13.8 p -97.09 -34.22 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.571 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 0.8 OUTLIER -48.35 -48.45 66.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.02 -35.15 3.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.463 ' CE ' HD12 ' A' ' 175' ' ' LEU . 0.1 OUTLIER -61.97 -31.85 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.481 ' CZ ' HG22 ' A' ' 266' ' ' ILE . 5.7 t80 -72.36 -44.41 62.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -31.53 65.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.48 -45.27 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.488 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -72.14 -9.92 59.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 12.5 t -111.4 14.01 21.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.71 122.02 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.65 56.6 1.62 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.476 ' CB ' ' OD2' ' A' ' 183' ' ' ASP . . . -103.67 -175.6 2.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.492 HG22 ' CD1' ' A' ' 247' ' ' ILE . 0.7 OUTLIER -113.69 178.39 0.98 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 110.401 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.0 Cg_endo -75.06 -37.75 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -70.45 -58.47 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . 0.488 ' OD1' ' CD1' ' A' ' 147' ' ' ILE . 0.0 OUTLIER -48.83 -46.2 41.65 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 1.182 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 55.1 mt -60.48 -43.42 96.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.222 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -33.04 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.467 ' CG2' HG23 ' A' ' 147' ' ' ILE . 0.4 OUTLIER -66.7 -47.85 71.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.458 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.528 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -62.3 -45.24 94.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.468 HD23 ' CE ' ' A' ' 198' ' ' MET . 13.8 mt -64.49 -22.01 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -75.73 -47.5 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 15.3 t -78.13 -1.01 30.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.444 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.471 HG13 ' CE ' ' A' ' 198' ' ' MET . 0.5 OUTLIER -59.96 -176.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.267 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.417 ' N ' HG12 ' A' ' 159' ' ' VAL . . . -170.76 55.85 0.19 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -108.46 27.89 12.81 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.431 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 2.0 t-160 83.77 132.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.596 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -59.13 -37.99 78.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.7 -49.17 75.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.395 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.0 75.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.471 ' CE ' HG13 ' A' ' 191' ' ' VAL . 0.1 OUTLIER -57.96 -33.33 68.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.6 -54.41 43.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 70.4 mtm -59.74 -46.48 89.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.469 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 2.2 tp -59.78 -37.01 77.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -67.36 -38.34 84.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.75 -45.6 78.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.219 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.24 -47.21 77.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.465 HD12 ' CG1' ' A' ' 266' ' ' ILE . 14.9 mt -59.92 -52.94 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -58.27 -41.07 83.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.64 -29.61 70.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . 0.541 ' HG2' ' CD1' ' A' ' 265' ' ' TRP . 0.8 OUTLIER -62.47 -44.81 95.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.563 ' HB3' ' CH2' ' A' ' 265' ' ' TRP . . . -62.73 -49.83 73.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.59 -47.92 75.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -40.19 94.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . 0.57 ' CZ3' HD11 ' A' ' 215' ' ' LEU . 42.9 t-105 -58.94 -59.41 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 108.06 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -56.32 -33.36 65.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -59.69 -41.91 91.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . 0.57 HD11 ' CZ3' ' A' ' 212' ' ' TRP . 2.7 pp -90.01 -0.06 57.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.43 97.35 35.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.595 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 59.26 5.15 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 68.7 t -100.95 82.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -118.03 131.77 56.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.596 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -163.7 165.0 23.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -62.94 -140.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 107.12 2.41 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.557 1.82 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 224' ' ' ALA . 0.0 OUTLIER -62.61 130.59 27.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . 0.492 ' O ' ' CD1' ' A' ' 223' ' ' ILE . . . -39.58 152.7 0.2 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 109.43 2.93 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.504 1.792 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 96.35 -23.19 35.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 224' ' ' ALA . 0.0 OUTLIER -45.22 -40.04 6.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.582 ' HB3' ' CZ2' ' A' ' 249' ' ' TRP . 2.1 ttp 41.01 50.13 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' A' ' 230' ' ' GLU . 3.6 ptt85 -58.34 -176.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 229' ' ' ARG . 0.4 OUTLIER -32.79 96.68 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . 0.469 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.0 Cg_endo -75.04 147.2 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.769 . . . . 0.0 110.968 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.14 -178.71 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . 0.409 ' HA3' ' CA ' ' A' ' 209' ' ' ALA . . . -56.63 -38.46 81.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -39.11 84.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.5 OUTLIER -65.3 -36.17 83.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 258' ' ' VAL . 19.5 mt -60.48 -30.72 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.95 -22.94 62.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.44 21.49 26.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 5.7 t -83.97 -38.35 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 110.489 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 37.7 m -105.92 -2.25 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 21.6 t -136.98 136.23 38.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 243' ' ' LEU . 1.6 t -80.67 -177.77 6.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.59 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 3.3 tm? -67.07 -59.69 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.61 -45.58 27.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . 0.459 ' HB3' ' CE ' ' A' ' 228' ' ' MET . 4.8 mm-40 -61.67 -37.12 82.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -69.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.59 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 1.0 OUTLIER -46.59 -39.43 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -59.99 -51.75 57.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.582 ' CZ2' ' HB3' ' A' ' 228' ' ' MET . 0.7 OUTLIER -63.52 -31.35 72.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -24.16 65.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 8.6 t -118.16 22.21 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.457 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.434 ' O ' ' CA ' ' A' ' 255' ' ' PRO . 0.3 OUTLIER -99.43 172.39 7.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 109.574 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 1.4 m120 -119.77 115.26 33.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.96 157.87 99.34 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.026 -0.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.434 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.11 123.89 8.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.575 1.829 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 3.6 mt -100.25 108.57 53.15 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.81 4.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.558 1.82 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.466 ' CG2' HG12 ' A' ' 236' ' ' ILE . 0.5 OUTLIER -61.54 -39.38 82.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.11 86.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -32.09 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . . . . . . . . . 17.0 mt -63.3 -45.66 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . 0.42 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 36.2 t80 -64.18 -37.39 87.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.406 ' HE2' ' N ' ' A' ' 264' ' ' ARG . 1.3 ttpt -56.53 -45.5 81.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.406 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 29.6 ttt180 -62.5 -34.32 76.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.563 ' CH2' ' HB3' ' A' ' 209' ' ' ALA . 49.2 m0 -62.09 -47.86 82.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.481 HG22 ' CZ ' ' A' ' 172' ' ' PHE . 63.4 mt -57.35 -45.8 85.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -34.2 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -54.56 45.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.15 -59.31 9.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.44 1.087 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.477 ' CB ' HD12 ' A' ' 169' ' ' ILE . 11.6 mt -44.62 -33.14 1.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -63.62 -45.78 88.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 269' ' ' GLY . 3.3 mmtt -69.09 -37.32 78.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 201' ' ' LEU . 41.5 mt -64.64 -40.88 90.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.24 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 270' ' ' LEU . 57.1 t -73.55 -37.54 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 -72.71 -16.33 61.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -91.86 -37.95 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 277' ' ' TYR . 5.6 t80 -91.98 2.99 56.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 1.4 p -79.08 150.17 74.26 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.29 3.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 7.9 m -151.75 143.55 23.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 26.2 p -49.55 158.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 40.9 mm 63.86 132.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.24 160.67 7.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.26 167.33 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.553 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -149.08 109.18 4.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.589 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -123.2 145.47 48.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.594 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.98 103.14 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.54 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -152.61 154.65 35.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.637 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.655 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.45 ' CB ' ' HG2' ' A' ' 52' ' ' GLU . . . 57.14 66.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.75 . . . . 0.0 109.297 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -67.66 -50.31 58.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.65 -59.07 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -140.64 -179.13 5.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.997 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.424 HG12 ' CG2' ' A' ' 34' ' ' ILE . 2.5 t -62.64 -48.93 85.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.616 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.3 mt -106.77 154.31 21.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.065 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.12 179.74 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.18 -58.09 16.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.96 -40.57 20.79 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.01 -38.14 78.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 9' ' ' SER . 4.9 tp -69.27 -43.53 73.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -35.29 66.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' HG12 ' A' ' 19' ' ' ILE . 2.8 mptp? -71.65 -45.32 62.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.387 1.055 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.616 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 37.1 t-105 -59.03 -64.89 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -47.45 -24.02 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -92.27 49.37 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.558 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.7 mm -130.58 144.48 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -96.5 124.76 40.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.448 HD21 ' CG ' ' A' ' 29' ' ' TYR . 2.6 mt -64.94 -126.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.501 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 1.9 mtt180 170.53 -54.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.225 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.5 Cg_endo -74.91 124.87 8.99 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.62 -0.8 61.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.33 -113.01 0.81 Allowed Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.68 62.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.404 0.708 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -160.44 0.74 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -120.0 159.99 23.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.239 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.52 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -83.57 153.22 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.32 173.74 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' CD1' HD12 ' A' ' 13' ' ' LEU . 2.6 mm? -61.33 -26.79 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -45.69 92.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -63.99 -35.92 82.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.435 HG13 ' NE1' ' A' ' 16' ' ' TRP . 4.2 mt -63.79 -50.05 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.02 -44.51 62.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 109.364 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -62.56 -39.58 94.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.001 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.448 ' CB ' HG22 ' A' ' 81' ' ' THR . . . -59.35 -52.88 63.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -34.78 77.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -60.7 -41.14 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.17 -34.88 79.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 86.4 mt -59.61 -49.45 77.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 109.237 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -57.13 -37.18 71.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -35.79 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.81 7.79 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.91 46.15 4.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 5.4 p -124.96 150.13 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.92 127.58 91.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -18.96 18.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.82 -10.66 59.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.2 mt -74.06 -27.9 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 8.2 tp -81.43 -15.84 53.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HG2' ' CB ' ' A' ' 3' ' ' ALA . 41.6 mt-10 -74.48 -22.06 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.3 p -125.87 157.99 36.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.374 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.5 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 9.8 p -70.09 -31.05 68.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -50.0 72.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.449 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -61.66 -37.13 93.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.13 -41.22 97.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.04 -42.18 93.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.88 -38.64 91.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.452 ' CG2' HD11 ' A' ' 82' ' ' ILE . 1.1 mp -72.71 -73.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.403 1.064 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.436 HD12 ' CD2' ' A' ' 79' ' ' TYR . 12.4 tp -41.22 -36.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.95 -48.97 83.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' ILE . 12.1 tt0 -97.41 22.12 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.489 HD22 ' CD2' ' A' ' 79' ' ' TYR . 13.5 tp -107.74 -26.85 10.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.613 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -53.65 -44.83 98.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.99 -40.67 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -68.24 -11.69 59.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.59 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.4 mt -70.65 -44.33 67.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -7.36 52.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.437 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.5 t -119.43 -5.94 10.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -80.62 -98.2 0.35 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 24.4 p 167.34 -176.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.403 0.707 . . . . 0.0 109.95 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.43 -40.82 95.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -71.41 -47.06 58.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 110.242 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.424 ' CD2' HD22 ' A' ' 68' ' ' LEU . 7.9 tt -60.8 -34.42 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.492 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 19.9 mtt-85 -61.51 -43.79 98.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 7.3 t -61.18 -30.69 70.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.939 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -66.17 -47.4 74.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.59 ' CD2' HD13 ' A' ' 68' ' ' LEU . 1.5 t80 -58.14 -42.81 86.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -59.18 -31.86 69.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.448 HG22 ' CB ' ' A' ' 37' ' ' ALA . 28.8 m -67.01 -48.12 69.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.452 HD11 ' CG2' ' A' ' 60' ' ' ILE . 8.8 mt -66.39 -37.96 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.547 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -56.04 -58.36 8.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.8 t -58.51 -42.06 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.567 HD13 ' CE3' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -56.82 -35.48 68.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 25.3 t80 -61.89 -51.98 65.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -37.87 81.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.413 1.071 . . . . 0.0 108.311 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -62.71 -39.96 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.5 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 2.0 m80 -55.85 -40.13 72.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.627 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.47 ' CB ' HD12 ' A' ' 92' ' ' ILE . 2.0 mp0 -88.37 -17.77 29.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.098 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 76.6 39.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.273 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.47 HD12 ' CB ' ' A' ' 90' ' ' GLN . 2.3 mp -75.87 141.2 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.02 92.79 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.5 m -111.39 173.67 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -142.49 -61.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.19 170.26 9.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.521 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.2 m -60.56 -44.73 95.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -32.4 69.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -34.65 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -70.49 -39.52 74.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.72 -47.25 80.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.6 -40.55 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -64.2 -61.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.547 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.9 pt -56.48 -27.99 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.36 -53.98 52.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -48.99 79.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -51.04 59.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -55.36 -52.82 62.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -52.98 -43.84 66.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -55.58 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.1 t -50.18 -50.96 47.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -53.78 37.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -51.55 -54.44 27.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.249 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -36.38 61.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.01 -62.18 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 117' ' ' GLN . 15.5 pt20 -58.35 -29.81 66.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.152 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.407 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 48.3 mt-30 -62.94 -57.14 11.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.42 -56.95 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -48.56 -53.21 19.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -48.31 -54.07 15.08 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.18 -61.11 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.6 p -62.04 115.78 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.162 . . . . 0.0 110.391 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -121.16 27.22 6.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 44.9 t30 64.63 92.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 0.774 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 39.4 t30 177.31 153.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.5 p -103.42 78.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 179.83 157.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.3 p -174.0 118.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.6 p 179.35 79.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.53 78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -179.82 148.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -172.08 93.46 0.4 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 148.04 34.73 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.49 ' O ' ' C ' ' A' ' 135' ' ' VAL . 3.3 pt -146.23 64.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.49 ' C ' ' O ' ' A' ' 134' ' ' ILE . 30.6 m 33.07 87.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -178.87 136.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -136.94 167.81 20.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.5 mt 67.87 90.76 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -170.7 98.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 68.61 97.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -174.86 108.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.23 96.81 3.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.6 t -137.89 146.36 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -78.41 142.55 37.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.591 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.12 148.05 28.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.62 179.75 4.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.423 ' CG1' ' OD2' ' A' ' 183' ' ' ASP . 1.5 tt -90.32 143.31 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.86 160.48 52.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -23.16 14.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -64.39 -40.97 96.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.39 -32.42 73.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.352 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.496 ' CD2' ' HA ' ' A' ' 187' ' ' MET . 16.8 mt -72.19 -42.49 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.0 -30.9 69.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.81 -49.62 72.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.571 ' CZ3' ' HE1' ' A' ' 187' ' ' MET . 13.1 t90 -67.5 -48.4 67.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 107.954 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.495 ' CG2' ' OG1' ' A' ' 190' ' ' THR . 43.9 t -44.46 -43.36 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -63.9 -40.02 95.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 155' ' ' TRP . 5.9 t -63.72 -44.89 98.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 23.7 t -55.06 -29.57 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -77.78 -33.8 52.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.77 -78.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 26.9 mmtt -69.84 -71.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.561 ' O ' ' CD1' ' A' ' 164' ' ' PHE . . . 85.89 -48.27 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 163' ' ' ALA . 0.7 OUTLIER -159.33 129.94 5.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.041 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 177.46 170.82 0.42 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.012 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -18.59 18.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -94.76 0.93 55.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 169' ' ' ILE . 0.3 OUTLIER -103.6 -34.6 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.4 mm -55.5 -44.91 99.89 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.02 -35.49 3.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.11 -39.8 93.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.409 1.068 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.563 ' CE2' HG23 ' A' ' 266' ' ' ILE . 32.9 t80 -61.17 -44.28 97.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -34.42 76.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.69 91.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.78 -14.1 59.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 17.8 t -107.63 13.74 26.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -40.3 104.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 41.93 71.23 0.38 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.1 -176.32 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.235 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.595 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.7 OUTLIER -112.51 -172.06 0.22 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.595 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.03 -41.83 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.449 1.763 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -65.25 -63.47 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . 0.423 ' OD2' ' CG1' ' A' ' 147' ' ' ILE . 0.0 OUTLIER -47.6 -47.51 28.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.451 ' CG ' ' O ' ' A' ' 180' ' ' THR . 54.9 mt -60.75 -41.61 95.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.229 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -42.41 72.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.471 HG21 ' CD2' ' A' ' 152' ' ' LEU . 0.3 OUTLIER -71.25 -35.72 71.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.409 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.571 ' HE1' ' CZ3' ' A' ' 155' ' ' TRP . 0.7 OUTLIER -61.43 -45.49 94.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.462 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 1.0 OUTLIER -80.2 -10.8 59.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -83.58 -23.93 31.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.386 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.495 ' OG1' ' CG2' ' A' ' 156' ' ' VAL . 4.9 t -97.21 -18.94 18.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.471 HG13 ' CE ' ' A' ' 198' ' ' MET . 0.6 OUTLIER -51.12 -178.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -165.89 56.48 0.25 Allowed Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.547 1.155 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -105.4 26.45 21.59 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 0.3 OUTLIER 81.61 139.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 0.73 . . . . 0.0 109.544 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -64.13 -38.09 89.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -58.03 -49.48 76.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.418 1.074 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.04 79.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.231 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.471 ' CE ' HG13 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.07 -37.5 74.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -57.83 -54.58 45.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -60.02 -29.15 68.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.484 HD12 ' CD1' ' A' ' 273' ' ' ILE . 0.8 OUTLIER -65.55 -36.68 84.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.239 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 0.0 OUTLIER -68.74 -30.26 68.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 11.0 tt0 -67.17 -47.05 72.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.78 -48.88 34.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.471 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 266' ' ' ILE . 19.9 mt -58.74 -55.52 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 3.2 t30 -58.4 -37.94 76.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.414 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 1.0 OUTLIER -65.73 -29.73 70.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . 0.462 ' HB3' ' CE2' ' A' ' 265' ' ' TRP . 0.0 OUTLIER -67.35 -34.46 77.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.469 ' CA ' ' HA3' ' A' ' 233' ' ' GLY . . . -69.3 -50.05 50.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.01 75.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.46 -36.27 82.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.23 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . 0.409 ' NE1' HD13 ' A' ' 236' ' ' ILE . 75.9 t-105 -58.99 -62.54 1.81 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.573 1.171 . . . . 0.0 107.99 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.17 -33.53 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -38.52 83.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 2.8 pp -94.58 0.32 55.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 98.14 38.17 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.588 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 93.62 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 68.6 t -40.41 117.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.379 1.05 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -114.45 98.35 6.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.599 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -78.9 75.14 5.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -92.74 -142.5 11.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.49 8.64 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.465 ' CG2' ' HG2' ' A' ' 229' ' ' ARG . 20.6 tt -170.68 166.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . 0.455 ' HB2' ' CG ' ' A' ' 227' ' ' GLN . . . -65.9 156.24 84.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 98.82 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.543 1.812 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 108.64 -12.01 35.59 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.461 1.101 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . 0.455 ' CG ' ' HB2' ' A' ' 224' ' ' ALA . 0.0 OUTLIER -49.91 153.29 1.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 110.331 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.564 ' HB3' ' CZ2' ' A' ' 249' ' ' TRP . 17.9 ttp -72.56 66.93 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.465 ' HG2' ' CG2' ' A' ' 223' ' ' ILE . 62.5 mtm180 -49.07 178.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.322 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 229' ' ' ARG . 0.7 OUTLIER -38.04 100.91 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . 0.437 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.5 Cg_endo -74.94 148.96 36.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.85 172.39 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . 0.469 ' HA3' ' CA ' ' A' ' 209' ' ' ALA . . . -48.64 -38.28 21.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.393 1.058 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 72.6 m -62.46 -46.83 86.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 109.977 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . 0.485 ' CG ' ' CG2' ' A' ' 240' ' ' THR . 0.9 OUTLIER -59.9 -35.35 74.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 258' ' ' VAL . 46.8 mt -60.16 -34.56 57.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.6 -6.42 40.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 181' ' ' PRO . . . 65.52 26.2 71.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 14.7 t -90.49 -37.6 13.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 110.341 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 240' ' ' THR . . . . . 0.485 ' CG2' ' CG ' ' A' ' 235' ' ' ASP . 11.5 t -104.67 -1.18 26.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 80.8 p -125.82 133.81 51.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.79 159.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 247' ' ' ILE . 1.3 tm? -70.14 -38.21 75.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.52 -34.66 67.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.083 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -40.28 94.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -66.02 -59.16 4.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 180' ' ' THR . 0.7 OUTLIER -47.7 -39.88 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.94 -47.78 89.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.564 ' CZ2' ' HB3' ' A' ' 228' ' ' MET . 0.6 OUTLIER -65.32 -32.01 73.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 14.8 mtm -65.6 -26.47 67.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 11.4 t -118.14 22.11 12.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.433 ' CD2' ' H ' ' A' ' 253' ' ' ASN . 29.1 t60 -90.24 173.73 7.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.433 ' H ' ' CD2' ' A' ' 252' ' ' HIS . 31.3 m120 -122.04 112.59 31.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.95 158.8 98.76 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.988 0.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.423 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.09 119.87 5.8 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . 0.533 HD12 ' CD1' ' A' ' 249' ' ' TRP . 4.5 mt -92.86 114.84 63.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.81 4.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.489 ' CG1' ' N ' ' A' ' 259' ' ' GLY . 0.3 OUTLIER -61.9 -48.91 86.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . 0.489 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -61.38 -41.6 99.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.571 1.169 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -32.31 73.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.247 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . . . . . . . . . 17.9 mt -69.68 -43.45 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -66.86 -48.62 68.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.44 -36.16 68.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -64.93 -33.99 77.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.288 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.462 ' CE2' ' HB3' ' A' ' 208' ' ' GLU . 53.9 m0 -61.96 -44.08 97.49 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.563 HG23 ' CE2' ' A' ' 172' ' ' PHE . 26.5 mt -57.39 -45.39 85.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -31.69 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -56.22 24.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 272' ' ' LYS . . . -62.3 -57.47 16.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.571 1.17 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.551 ' CB ' ' CD1' ' A' ' 169' ' ' ILE . 11.7 mt -45.51 -35.81 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -63.47 -41.02 98.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.4 OUTLIER -68.77 -39.18 80.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . 0.484 ' CD1' HD12 ' A' ' 201' ' ' LEU . 32.1 mt -59.45 -45.93 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.77 -46.06 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -16.32 13.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.69 -37.92 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -95.31 18.16 13.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.98 150.16 92.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -54.87 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 13.3 t -132.73 134.3 44.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.443 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 60.9 p -154.4 122.15 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . 0.411 HD11 ' N ' ' A' ' 283' ' ' LEU . 0.3 OUTLIER -68.22 120.58 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . 0.411 ' N ' HD11 ' A' ' 282' ' ' ILE . 0.4 OUTLIER -43.22 136.8 2.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -124.45 121.82 35.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.642 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -68.16 132.94 48.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.573 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -84.81 -61.94 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.609 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 64.7 83.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -91.29 149.62 21.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.147 . . . . 0.0 109.615 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 36.6 m80 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.625 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.71 66.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.4 -56.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.43 65.8 0.08 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.596 1.185 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p 177.63 96.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 34' ' ' ILE . 35.6 t -153.55 -66.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.613 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.0 mt -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.48 179.56 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.79 -58.19 15.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.54 -40.57 27.12 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.85 -42.63 89.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.476 ' CB ' ' O ' ' A' ' 9' ' ' SER . 7.6 tp -64.5 -43.64 93.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -56.04 -32.03 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -45.03 33.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.698 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 23.5 t-105 -57.03 -61.74 2.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.96 -21.07 42.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 6.5 tttt -88.49 43.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.537 ' CD1' ' CG1' ' A' ' 84' ' ' VAL . 40.2 mt -139.0 127.01 27.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -89.52 151.14 22.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.529 HD23 ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -127.5 -163.57 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.576 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 1.2 mtt85 -178.34 -58.47 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.576 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.94 123.48 7.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.536 1.808 . . . . 0.0 111.051 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.47 4.76 46.7 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . -132.48 -81.06 0.19 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 84.6 42.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.786 . . . . 0.0 109.341 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.18 -132.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.401 ' O ' ' CE1' ' A' ' 33' ' ' HIS . 3.2 mt-30 -127.82 172.93 10.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -92.08 142.54 27.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.21 173.98 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -60.8 -28.86 69.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -62.05 -44.03 97.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.378 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.401 ' CE1' ' O ' ' A' ' 28' ' ' GLN . 16.9 m170 -63.28 -36.95 85.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.597 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.46 ' CG2' HG11 ' A' ' 7' ' ' VAL . 4.6 mt -62.71 -50.81 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.417 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.25 -44.6 65.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -62.39 -39.91 94.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 -50.4 74.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 p -58.11 -34.86 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.61 -40.84 93.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.359 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.68 -34.68 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 110.306 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 95.9 mt -57.77 -50.02 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.41 -41.52 85.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -36.75 75.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -76.12 0.46 18.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 69.89 44.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 5.1 p -124.99 149.95 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.89 132.68 94.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -18.85 18.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.35 -11.55 56.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 27.8 mt -71.17 -39.08 72.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.4 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 8.8 tp -70.43 -7.6 44.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -21.8 31.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.7 p -125.61 156.1 39.71 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.414 1.071 . . . . 0.0 110.391 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.9 p -66.55 -33.08 74.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 3.2 mt-10 -66.32 -36.51 83.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.457 ' CA ' ' HB3' ' A' ' 50' ' ' LEU . . . -73.84 -35.98 53.54 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -44.88 89.38 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.483 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 9.6 ptt180 -68.27 -31.73 71.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -45.22 94.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.443 ' CG2' HD11 ' A' ' 82' ' ' ILE . 1.8 mp -67.6 -69.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.558 HD12 ' CD2' ' A' ' 79' ' ' TYR . 11.7 tp -40.54 -34.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.63 -48.87 78.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.2 OUTLIER -96.76 22.56 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 110.356 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.523 HD23 ' CD2' ' A' ' 79' ' ' TYR . 18.0 tp -110.32 -27.01 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.611 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 tm0? -53.08 -45.14 98.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.93 -39.92 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -68.36 -12.63 61.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.594 HD11 ' CD2' ' A' ' 79' ' ' TYR . 7.4 mt -71.09 -43.82 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' A' ' 66' ' ' PRO . 1.9 pt20 -74.57 -6.4 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.457 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.86 -4.47 9.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -82.83 -101.05 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 14.8 p 169.11 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 110.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -41.52 86.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -45.7 62.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.7 -34.05 72.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.477 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 32.9 ttt180 -61.11 -48.59 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.29 -36.43 66.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -60.18 -47.4 86.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.594 ' CD2' HD11 ' A' ' 68' ' ' LEU . 2.4 t80 -63.52 -43.28 97.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.457 ' CG ' ' CG2' ' A' ' 97' ' ' THR . 1.3 t-20 -55.96 -33.12 64.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -70.58 -44.88 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.473 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.448 ' CD1' HD13 ' A' ' 78' ' ' LEU . 11.6 mt -65.56 -36.11 76.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.525 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -60.61 -54.92 39.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.589 HG11 ' CE3' ' A' ' 16' ' ' TRP . 21.1 t -58.74 -45.48 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.23 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.571 HD13 ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -55.72 -45.71 77.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' A' ' 58' ' ' ARG . 39.3 t80 -60.42 -37.08 79.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.431 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -68.37 -33.24 73.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.35 1.031 . . . . 0.0 108.321 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.21 -32.82 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -67.97 -40.53 83.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.472 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 0.5 OUTLIER -85.31 -14.07 47.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.7 mtt85 64.49 46.89 3.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 2.6 mp -83.62 141.5 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.43 105.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.415 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 23.7 m -134.47 173.0 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -144.42 -52.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -113.54 170.64 8.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.517 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 25.2 m -60.58 -44.58 96.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.444 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -62.54 -31.58 72.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -63.15 -36.8 84.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.489 ' O ' ' CG2' ' A' ' 104' ' ' ILE . . . -69.12 -36.87 77.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.404 ' O ' ' CD ' ' A' ' 105' ' ' GLU . 1.3 mp -55.78 -48.03 76.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.66 -43.46 63.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -61.04 2.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.525 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 2.8 pt -56.03 -27.81 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -56.92 -54.18 49.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.236 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -48.37 82.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -50.81 60.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -55.13 -52.74 62.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -53.05 -43.71 66.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -56.1 26.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.83 -50.6 44.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.569 1.168 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -52.1 -54.32 31.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.601 1.188 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -53.74 33.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.33 -50.74 38.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.598 1.186 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.6 -55.64 24.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -49.28 -48.64 45.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -52.79 -53.1 53.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.38 -59.56 4.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.56 -56.26 2.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.25 -54.49 20.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.78 -60.73 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.359 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.7 p -65.65 151.31 46.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -112.07 58.79 0.39 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -43.81 104.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 174.56 167.84 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.12 128.18 45.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -177.74 138.12 0.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.243 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.26 165.89 30.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.81 150.91 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.075 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 179.15 151.83 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 58.3 t30 177.62 153.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -174.45 92.95 0.31 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -179.16 4.73 Favored 'Trans proline' 0 C--N 1.362 1.247 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.9 pt -147.2 168.15 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.236 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.3 m -135.97 164.95 30.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 159.08 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.1 p30 175.92 162.14 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -173.83 162.14 3.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -175.94 171.42 2.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 153.4 155.35 7.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -175.39 171.36 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.727 . . . . 0.0 110.305 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.87 164.36 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.5 p -171.58 168.7 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.508 ' CG ' HG23 ' A' ' 247' ' ' ILE . 12.1 m170 -86.1 142.93 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.622 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -81.69 148.49 28.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.94 179.32 4.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.473 ' CD1' HG21 ' A' ' 151' ' ' THR . 1.4 tt -85.82 143.1 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.385 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.14 160.17 52.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.993 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -21.97 15.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -65.92 -37.82 87.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.473 HG21 ' CD1' ' A' ' 147' ' ' ILE . 0.6 OUTLIER -66.42 -38.54 87.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.401 1.063 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.495 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 20.2 mt -59.87 -42.38 93.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -66.92 -42.25 85.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.13 78.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.6 ' CE2' ' CG2' ' A' ' 159' ' ' VAL . 29.3 t-105 -61.96 -46.85 87.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 108.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 46.2 t -45.35 -42.44 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -68.2 -36.4 79.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 155' ' ' TRP . 79.6 t -63.33 -45.38 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.6 ' CG2' ' CE2' ' A' ' 155' ' ' TRP . 68.9 t -61.94 -46.89 95.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -16.34 63.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -81.31 -52.33 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.48 ' O ' ' CG2' ' A' ' 168' ' ' VAL . 3.8 mttt -165.22 59.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -40.57 -45.79 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 164' ' ' PHE . 11.9 p90 -110.63 104.53 13.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.477 ' HB2' ' HD2' ' A' ' 166' ' ' PRO . 49.2 p -179.29 163.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . 0.477 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.2 Cg_endo -75.07 -16.75 19.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -95.06 4.8 53.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 162' ' ' LYS . 0.3 OUTLIER -111.31 -32.48 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.641 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 15.3 mm -57.03 -43.86 99.54 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.1 -35.21 3.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -46.0 91.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.57 ' CE1' ' HE3' ' A' ' 187' ' ' MET . 78.6 t80 -62.08 -44.38 96.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 51.8 p -60.84 -34.53 74.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.44 92.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.225 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.44 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -74.43 -10.51 59.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' SER . . . . . 0.445 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 15.3 p -98.56 14.18 29.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.951 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.02 104.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.37 66.28 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -104.01 -174.3 2.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.341 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.599 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.6 OUTLIER -113.51 -172.22 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.599 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.4 Cg_endo -74.99 -39.26 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -68.32 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . 0.463 ' OD2' ' CG1' ' A' ' 147' ' ' ILE . 0.0 OUTLIER -45.1 -46.35 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 176' ' ' SER . 41.9 mt -62.75 -45.9 90.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -55.24 -36.1 65.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.478 HG21 ' CD2' ' A' ' 152' ' ' LEU . 0.8 OUTLIER -61.46 -47.15 87.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.346 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.57 ' HE3' ' CE1' ' A' ' 172' ' ' PHE . 1.5 ttp -63.9 -45.64 88.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 266' ' ' ILE . 13.0 mt -64.79 -25.47 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -70.67 -48.53 54.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.5 t -76.86 -3.16 37.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.456 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.41 -175.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.409 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -168.24 59.45 0.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.4 1.062 . . . . 0.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 197' ' ' ALA . . . -116.97 33.14 5.18 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.3 t60 78.78 136.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.603 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -59.93 -38.05 81.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.3 76.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 193' ' ' GLY . . . -59.22 -49.71 76.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.238 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' MET . . . . . . . . . . . . . 1.3 mmt -57.91 -33.74 69.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -68.63 -54.58 15.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 10.5 tmm? -59.04 -36.6 75.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.467 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 28.6 tp -61.36 -34.93 76.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -67.58 -32.54 73.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.05 -46.38 74.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -48.91 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.365 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.469 HD13 ' CG1' ' A' ' 266' ' ' ILE . 10.1 mt -58.87 -54.93 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -57.96 -37.12 73.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -67.05 -29.6 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.74 -43.72 83.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.473 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -60.39 -50.1 74.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.02 75.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -34.33 76.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . 0.44 ' CE3' HD12 ' A' ' 215' ' ' LEU . 57.3 t-105 -57.61 -56.13 25.86 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.29 -33.54 65.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.158 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -37.86 85.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.235 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . 0.44 HD12 ' CE3' ' A' ' 212' ' ' TRP . 2.9 pp -97.62 -0.54 45.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . 0.477 ' CD2' ' CG1' ' A' ' 218' ' ' VAL . 2.3 t-160 -111.73 96.36 32.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.85 4.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 0.477 ' CG1' ' CD2' ' A' ' 216' ' ' HIS . 32.9 m -69.39 110.14 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -140.65 116.53 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.645 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 229' ' ' ARG . . . -154.75 175.76 13.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -78.75 -142.6 2.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.615 1.197 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 116.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 227' ' ' GLN . 0.2 OUTLIER -56.71 118.64 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 227' ' ' GLN . . . -40.43 156.23 0.18 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 106.59 2.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.554 1.818 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 101.44 -21.29 43.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . 0.459 ' HB2' ' CB ' ' A' ' 224' ' ' ALA . 0.0 OUTLIER -65.93 171.11 4.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.254 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.584 ' HB3' ' CZ2' ' A' ' 249' ' ' TRP . 30.1 ttp -143.8 63.31 1.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 220' ' ' ALA . 0.8 OUTLIER -52.26 -178.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 229' ' ' ARG . 81.0 mm-40 -36.0 96.99 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 229' ' ' ARG . 18.0 Cg_endo -75.01 149.38 36.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -85.97 177.76 7.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . 0.473 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -55.44 -38.27 69.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 1.5 m -64.87 -40.52 95.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 0.743 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.9 OUTLIER -59.5 -41.77 90.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.457 HG12 ' CG2' ' A' ' 258' ' ' VAL . 14.5 mt -60.61 -31.06 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.98 -8.14 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.24 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 74.46 24.37 73.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.592 1.182 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.46 -38.33 13.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 11.0 m -104.46 -0.07 28.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 1.2 t -138.44 143.24 39.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.435 HG21 ' N ' ' A' ' 243' ' ' LEU . 0.6 OUTLIER -72.21 175.03 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.472 HD12 ' CG1' ' A' ' 247' ' ' ILE . 3.0 tm? -67.07 -59.98 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -50.11 -25.13 3.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . 0.419 ' CB ' ' HE3' ' A' ' 228' ' ' MET . 3.2 mt-10 -69.89 -49.33 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -70.09 -36.75 75.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.508 HG23 ' CG ' ' A' ' 144' ' ' HIS . 28.5 mm -52.8 -56.73 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.59 -47.71 89.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.584 ' CZ2' ' HB3' ' A' ' 228' ' ' MET . 0.5 OUTLIER -56.32 -31.3 63.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 5.2 ttm -66.22 -39.89 89.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 30.6 m -110.6 22.95 14.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.168 . . . . 0.0 110.382 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 255' ' ' PRO . 54.6 t-80 -78.05 169.95 17.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.641 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 0.9 OUTLIER -121.95 110.63 32.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.1 Cg_endo -75.0 159.84 97.43 Favored 'Cis proline' 0 C--N 1.361 1.226 0 C-N-CA 120.97 -2.512 . . . . 0.0 110.949 0.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -75.04 123.98 8.26 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 5.7 mt -93.06 130.16 37.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.48 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.2 Cg_endo -74.93 54.86 3.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.546 1.814 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 236' ' ' ILE . 1.4 t -62.27 -59.74 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.77 -38.17 95.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.091 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -35.3 75.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . 0.48 ' CG1' ' O ' ' A' ' 257' ' ' PRO . 13.6 mt -63.78 -45.87 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . 0.574 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 19.8 t80 -69.08 -44.54 72.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.28 -42.54 77.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -33.66 75.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.457 ' CH2' ' HB3' ' A' ' 209' ' ' ALA . 52.2 m0 -63.02 -48.23 79.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.565 HG22 ' CE2' ' A' ' 172' ' ' PHE . 54.6 mt -58.0 -48.41 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -32.62 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -57.87 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -63.61 -58.75 10.2 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.52 ' CB ' ' CD1' ' A' ' 169' ' ' ILE . 14.3 mt -43.84 -35.89 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -46.57 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 269' ' ' GLY . 2.3 mptm? -66.25 -37.38 85.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 31.2 mt -63.61 -43.48 98.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 80.2 t -61.76 -46.18 97.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -64.48 -16.4 62.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.78 -38.06 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.83 15.4 23.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.07 152.32 55.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 89.67 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.398 1.736 . . . . 0.0 111.047 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 22.8 m 61.61 118.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 84.7 p -141.12 134.58 29.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.076 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 1.6 pp -94.4 131.75 40.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.58 154.13 23.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -168.31 173.79 7.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.627 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 68.99 150.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.65 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -154.57 172.69 17.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.616 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -142.38 165.98 25.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.629 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -134.55 171.85 13.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.653 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 33.9 p80 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.576 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.04 101.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 176.03 -56.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.03 -61.09 2.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -141.13 -179.13 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.469 HG12 ' CG2' ' A' ' 34' ' ' ILE . 2.9 t -62.89 -49.56 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.557 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.2 mt -108.22 156.77 18.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.237 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -88.26 179.82 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.941 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.4 -57.55 19.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.423 1.077 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.88 -40.74 24.97 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.8 -40.66 84.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.468 ' CB ' ' O ' ' A' ' 9' ' ' SER . 21.2 tp -67.54 -39.78 85.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 92.1 m-20 -56.07 -31.9 63.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' CA ' ' HE2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -76.96 -44.7 30.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.799 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 67.0 t-105 -55.98 -60.58 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 107.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.86 -22.54 59.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -91.43 39.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.455 ' CD1' HG12 ' A' ' 84' ' ' VAL . 54.7 mt -141.58 139.62 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.64 154.61 21.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.614 ' CD2' ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -112.92 -159.6 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.58 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -178.66 -58.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.58 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.02 123.27 7.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.773 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.36 5.73 30.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . -130.9 -87.69 0.44 Allowed Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER 87.81 37.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.45 -138.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -120.51 177.1 5.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.799 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -98.23 141.79 30.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.07 . . . . 0.0 110.938 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -142.39 168.18 20.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -61.05 -28.1 68.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -61.76 -45.12 95.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -63.05 -36.06 82.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.589 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.469 ' CG2' HG12 ' A' ' 7' ' ' VAL . 4.4 mt -63.52 -50.12 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.366 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.31 -44.59 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 43.0 t90 -62.79 -39.75 95.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 108.009 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.453 ' CB ' HG22 ' A' ' 81' ' ' THR . . . -58.95 -52.97 63.48 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -34.93 77.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -41.13 94.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.493 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 2.9 tt0 -65.25 -34.98 79.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 95.9 mt -62.55 -45.78 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.18 -41.21 78.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -25.35 65.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 3.3 m-85 -83.66 10.45 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 60.4 38.18 19.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 9.9 p -125.04 150.08 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -64.48 132.13 95.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -18.91 18.4 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.83 -9.73 59.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.68 -36.14 73.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 8.8 tp -75.29 -18.77 59.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -22.02 59.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.2 p -125.89 154.27 42.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.448 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 1.4 p -68.53 -30.31 69.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.074 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.0 -48.77 78.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.454 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -63.43 -34.88 91.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.7 m -63.9 -40.85 97.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -59.98 -37.8 80.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -36.89 75.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.454 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 1.2 mp -74.57 -75.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.537 HD13 ' CE1' ' A' ' 79' ' ' TYR . 9.2 tp -44.13 -35.06 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.86 -49.0 83.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.39 22.79 10.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.313 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.437 HD23 ' CD2' ' A' ' 79' ' ' TYR . 12.5 tp -107.79 -26.99 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.23 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.612 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 6.1 tm0? -52.85 -45.29 97.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.241 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -75.03 -40.35 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.536 1.809 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 71' ' ' GLY . 63.1 m -68.47 -11.79 60.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.594 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.4 mt -70.98 -44.19 66.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -74.35 -7.12 51.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.72 -5.55 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.48 -98.94 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 20.9 p 167.43 -175.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 0.74 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -61.21 -40.95 95.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -47.07 57.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.388 1.055 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.433 ' CD2' HD21 ' A' ' 68' ' ' LEU . 6.0 tt -60.64 -34.32 74.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.476 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.57 -42.79 99.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.47 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 38.5 t -62.18 -30.46 71.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -42.54 88.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.608 1.193 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.594 ' CD2' HD13 ' A' ' 68' ' ' LEU . 1.6 t80 -64.59 -43.26 94.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.3 OUTLIER -59.11 -26.43 64.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.571 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 47.9 m -71.75 -48.46 46.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.3 mt -69.24 -33.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.509 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -56.97 -60.82 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.7 t -58.1 -41.31 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.587 ' CD1' ' CE3' ' A' ' 16' ' ' TRP . 1.1 mp -56.62 -38.45 72.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -59.86 -48.35 82.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.8 OUTLIER -63.96 -40.0 95.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.3 t -60.86 -39.85 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 1.3 m80 -57.26 -40.2 77.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.601 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.462 ' CB ' HD13 ' A' ' 92' ' ' ILE . 0.4 OUTLIER -91.06 -9.79 44.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.9 OUTLIER 65.92 43.39 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.462 HD13 ' CB ' ' A' ' 90' ' ' GLN . 2.1 mp -75.92 140.92 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' N ' HG21 ' A' ' 92' ' ' ILE . 47.3 m-20 -63.28 89.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.3 m -116.71 173.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -143.91 -47.24 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.441 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -128.33 170.21 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.521 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 5.7 m -59.87 -44.69 94.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 6.0 tmtm? -54.61 -32.15 58.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.382 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -68.95 -40.36 78.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.445 ' O ' ' CG2' ' A' ' 104' ' ' ILE . . . -70.62 -39.29 73.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 2.7 mp -56.02 -46.73 78.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -72.28 -44.68 62.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.58 -62.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.509 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.5 pt -55.74 -28.26 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 3.3 tt0 -66.74 -53.82 29.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.2 -51.94 65.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.14 -53.56 54.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -54.96 -52.75 62.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.97 -43.86 66.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -55.8 30.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.406 1.066 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -50.73 45.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.943 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -52.18 -54.25 33.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -51.21 -53.83 31.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -50.71 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.46 -54.49 36.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -50.13 -50.12 49.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -54.4 -54.82 35.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.99 -41.92 65.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.7 90.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.59 7.49 19.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 122' ' ' THR . 13.1 t0 -95.46 -42.5 8.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 121' ' ' ASP . 50.0 p -38.42 104.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 103.12 73.67 0.98 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.61 162.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 172.46 156.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.17 170.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 110.024 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -159.44 171.47 19.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.245 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.7 p -163.38 168.32 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 m -169.2 170.47 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.091 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -167.71 171.16 10.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -172.55 167.8 5.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.53 93.18 48.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 171.8 17.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.541 1.811 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 24.2 pt 40.42 59.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.16 158.76 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.05 169.63 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -156.09 167.8 29.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.4 pp -141.59 176.81 8.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -168.81 171.37 8.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -134.15 -165.02 10.83 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -170.81 171.37 6.11 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 0.797 . . . . 0.0 110.342 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 2.3 mmm -81.73 99.21 8.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 35.3 m -136.55 174.94 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.246 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.437 ' HB2' ' CG2' ' A' ' 247' ' ' ILE . 0.6 OUTLIER -105.28 142.52 34.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.19 147.99 28.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.231 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.76 -175.8 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 151' ' ' THR . 1.2 tt -79.97 143.26 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.165 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.07 160.55 51.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 109.962 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -22.9 14.45 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.441 1.759 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -37.47 86.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.471 HG21 ' CD1' ' A' ' 147' ' ' ILE . 0.6 OUTLIER -68.67 -38.66 80.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.448 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 21.6 mt -61.72 -41.59 97.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.59 -37.91 85.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.96 74.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.438 ' CZ3' ' CG1' ' A' ' 158' ' ' VAL . 61.5 t-105 -62.05 -43.4 98.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 39.3 t -46.04 -43.32 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.368 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -70.17 -33.87 72.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.133 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.438 ' CG1' ' CZ3' ' A' ' 155' ' ' TRP . 97.3 t -63.61 -42.34 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . . . . . . . . . 40.8 t -77.62 -31.79 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.083 . . . . 0.0 109.357 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.04 -35.09 79.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -90.05 -60.07 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 9.1 mmtt -82.56 -79.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.03 -47.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.559 ' O ' ' CG ' ' A' ' 164' ' ' PHE . 1.9 p90 -155.39 61.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.94 168.42 8.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.35 18.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.552 1.817 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.52 0.55 56.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 162' ' ' LYS . 0.3 OUTLIER -103.57 -34.32 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 27.3 mm -53.66 -45.26 98.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.12 -37.06 2.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -33.54 74.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.427 ' CE2' HD11 ' A' ' 270' ' ' LEU . 2.5 t80 -61.81 -39.44 91.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 3.9 t -74.62 -27.09 60.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.4 -45.95 61.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.471 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.27 -27.42 53.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 4.1 p -100.77 13.82 33.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.35 105.97 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 45.42 67.85 1.14 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.33 -176.62 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 0.0 109.246 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.532 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 1.3 p -109.68 -175.91 0.37 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.2 Cg_endo -75.02 -39.62 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -31.07 69.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 183' ' ' ASP . 5.9 t0 -80.83 -48.83 11.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 180' ' ' THR . 8.7 mt -61.82 -34.18 75.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.227 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -71.5 -31.84 67.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.446 ' CG2' HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -68.61 -48.45 64.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.502 ' HG3' ' N ' ' A' ' 188' ' ' LEU . 1.8 ppp? -69.79 -32.93 71.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.502 ' N ' ' HG3' ' A' ' 187' ' ' MET . 10.4 mt -74.28 -32.68 63.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 189' ' ' ASN . 38.3 t-20 -68.7 -30.24 68.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 191' ' ' VAL . 1.8 t -87.85 -13.66 41.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.473 HG13 ' CE ' ' A' ' 198' ' ' MET . 0.6 OUTLIER -51.65 -177.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -167.37 57.05 0.23 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 197' ' ' ALA . . . -109.33 28.26 11.22 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 79.58 136.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.59 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -57.92 -38.05 75.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.33 76.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 193' ' ' GLY . . . -59.17 -49.67 76.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.473 ' CE ' HG13 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.9 -34.44 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -69.71 -54.56 13.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -58.74 -30.26 67.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.469 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 16.8 tp -65.71 -42.84 90.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -60.9 -29.57 69.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.73 -46.32 75.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.51 -48.02 61.9 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 1.13 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.485 HD11 ' CG1' ' A' ' 266' ' ' ILE . 18.4 mt -58.3 -55.54 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -58.2 -37.4 74.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.293 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -65.81 -29.73 70.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.231 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -40.2 83.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -65.57 -50.12 66.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.89 76.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.48 -40.11 96.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -57.73 -61.27 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 108.008 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.24 -34.51 66.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -60.35 -41.8 94.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 110.353 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 2.9 pp -93.96 -0.01 55.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -111.55 97.1 35.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.607 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 55.66 3.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.018 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 8.1 p -51.31 122.53 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.14 163.86 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.61 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -88.15 178.36 6.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 122.08 136.42 4.94 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.469 1.106 . . . . 0.0 111.08 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.42 14.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.437 1.756 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . . . . . . . . . 15.7 tt -54.65 159.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 227' ' ' GLN . . . -90.94 156.75 44.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 0.0 109.346 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 100.88 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 106.01 -14.22 44.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.445 1.09 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 224' ' ' ALA . 11.9 mp0 -97.24 172.7 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.777 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 249' ' ' TRP . 0.9 OUTLIER -136.26 121.43 19.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -102.11 159.4 15.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -40.56 102.31 0.26 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.214 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 249' ' ' TRP . 18.2 Cg_endo -75.03 164.14 33.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.526 1.803 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 169.42 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . . . . . . . . . . . -48.72 -37.97 21.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -45.44 93.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 0.757 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.5 OUTLIER -59.92 -35.81 75.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.457 HG12 ' CG2' ' A' ' 258' ' ' VAL . 65.6 mt -60.64 -33.22 53.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.28 -22.69 61.93 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 87.46 25.22 33.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.73 -38.24 47.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 25.1 m -118.4 -0.43 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.377 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 1.2 t -112.69 145.24 40.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 243' ' ' LEU . 0.5 OUTLIER -89.43 167.32 13.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.476 HD11 ' CG1' ' A' ' 247' ' ' ILE . 3.0 tm? -58.26 -60.86 3.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -49.36 -22.33 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.221 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 249' ' ' TRP . 0.6 OUTLIER -70.77 -49.33 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -69.82 -38.81 76.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.486 ' CD1' HG22 ' A' ' 180' ' ' THR . 50.0 mm -55.14 -61.0 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.36 -35.87 89.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.576 ' CZ2' ' HG3' ' A' ' 231' ' ' PRO . 0.0 OUTLIER -59.53 -33.34 71.26 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.4 mtm -80.11 -26.91 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 251' ' ' THR . . . . . 0.425 ' CG2' ' HA2' ' A' ' 248' ' ' GLY . 6.7 t -109.74 22.38 15.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.411 1.069 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.475 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 73.2 t60 -91.96 167.4 12.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.495 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 1.3 m120 -121.64 111.14 33.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.327 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . 0.495 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -75.0 159.79 97.51 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.062 -2.474 . . . . 0.0 110.977 0.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.97 123.36 7.84 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.535 1.808 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 3.5 mt -96.95 115.59 65.77 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 54.47 3.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 236' ' ' ILE . 0.5 OUTLIER -63.02 -39.81 86.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -62.29 -41.93 99.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.26 -32.33 71.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . . . . . . . . . 25.5 mt -64.66 -45.37 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -70.77 -48.86 52.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.3 OUTLIER -56.14 -35.84 67.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 57.6 ttt180 -67.29 -34.13 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -62.19 -42.26 99.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 107.979 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.485 ' CG1' HD11 ' A' ' 205' ' ' ILE . 54.5 mt -57.96 -48.25 84.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -32.37 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -58.01 10.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 272' ' ' LYS . . . -62.63 -59.71 8.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.479 ' CD1' ' CG2' ' A' ' 266' ' ' ILE . 12.4 mt -42.87 -35.7 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 0.81 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -62.97 -47.04 84.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 269' ' ' GLY . 23.7 tttt -66.97 -37.4 84.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 51.6 mt -58.86 -45.95 91.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.78 -41.99 77.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -63.55 -16.22 60.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.91 -35.28 12.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 0.414 ' CG ' ' CE2' ' A' ' 164' ' ' PHE . 0.1 OUTLIER -99.84 16.53 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.38 153.7 92.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 154.87 42.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 111.049 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 3.0 m -80.33 102.04 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.363 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 65.2 p 177.85 151.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 7.8 mt 64.18 139.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 7.3 tt -173.36 155.61 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -168.14 163.57 13.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.573 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -175.69 157.83 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.593 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.7 170.69 1.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.555 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -175.38 173.93 2.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.609 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -172.11 139.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 109.566 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.0 176.01 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -56.57 12.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.28 84.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.91 58.15 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 34' ' ' ILE . 3.0 t -112.16 -63.68 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.625 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.9 mt -99.65 152.39 20.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.07 179.62 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.09 -57.95 16.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.414 1.071 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.05 -41.39 27.37 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.94 -41.29 87.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 110.291 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 9' ' ' SER . 5.3 tp -64.95 -44.11 90.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.489 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -55.91 -31.99 63.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -44.27 38.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.625 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 32.9 t-105 -56.79 -61.21 2.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 108.006 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -56.37 -23.46 37.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 8.4 mttt -87.17 45.24 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.441 ' CD1' HG11 ' A' ' 84' ' ' VAL . 91.0 mt -144.21 138.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -87.16 147.05 25.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.338 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.527 HD22 ' CD1' ' A' ' 29' ' ' TYR . 3.8 mt -78.33 -127.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.485 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 169.66 -54.37 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.412 1.07 . . . . 0.0 110.355 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.485 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.5 Cg_endo -74.98 124.93 9.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.1 -0.53 75.86 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.33 -126.7 2.87 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -156.78 57.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -84.9 -172.13 4.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -110.35 143.59 40.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.237 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.527 ' CD1' HD22 ' A' ' 21' ' ' LEU . 1.3 m-85 -67.5 147.93 52.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -142.45 171.36 14.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.446 ' CD1' HD12 ' A' ' 13' ' ' LEU . 2.4 mm? -61.58 -28.61 69.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -61.68 -46.13 91.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -62.79 -35.71 80.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.463 HG22 ' CG1' ' A' ' 7' ' ' VAL . 3.7 mt -62.9 -49.57 83.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.55 -42.88 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -62.58 -40.89 98.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.007 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.08 -52.78 64.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 9.7 p -61.71 -34.78 76.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.64 -40.89 93.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -34.93 79.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 31.4 mt -57.88 -50.14 74.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.19 -41.96 80.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.591 1.182 . . . . 0.0 110.277 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -37.75 77.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.44 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 35.5 t80 -75.96 0.47 18.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 67.62 46.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 9.1 p -124.97 150.03 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.64 129.8 94.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.9 18.4 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.79 -11.47 57.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 60' ' ' ILE . 29.4 mt -72.22 -40.29 67.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.769 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 tp -66.59 -14.66 62.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.23 -21.95 55.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.81 150.05 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.445 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.402 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 19.4 p -65.27 -30.75 71.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.965 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.89 -50.1 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.454 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -60.25 -34.78 85.98 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -41.25 97.65 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -60.04 -39.58 86.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -37.46 87.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.647 1.217 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.457 HG22 ' CD2' ' A' ' 41' ' ' LEU . 1.6 mp -73.55 -74.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.549 HD11 ' CE2' ' A' ' 79' ' ' TYR . 14.1 tp -41.78 -39.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.6 -48.8 82.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -94.92 19.92 9.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 0.739 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' ' 79' ' ' TYR . 9.9 tp -103.62 -29.38 11.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.605 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.5 tm0? -52.18 -45.24 94.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.01 -40.03 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.582 1.833 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 71' ' ' GLY . 48.9 m -68.13 -11.52 59.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.583 HD12 ' CD2' ' A' ' 79' ' ' TYR . 6.7 mt -70.55 -44.28 67.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -73.87 -7.33 51.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.442 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.74 -5.64 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.43 -98.56 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 22.2 p 168.99 -177.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 0.764 . . . . 0.0 109.952 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.58 -40.66 95.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -71.14 -47.26 58.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.8 -34.64 74.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.476 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 5.2 ttt-85 -61.94 -41.27 97.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.43 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 0.3 OUTLIER -63.38 -30.0 71.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -45.94 75.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.583 ' CD2' HD12 ' A' ' 68' ' ' LEU . 2.0 t80 -53.56 -44.31 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.605 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 2.3 p30 -65.3 -26.61 68.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.564 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 22.4 m -70.89 -43.93 67.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.4 mt -72.35 -42.79 65.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -49.76 -52.71 29.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.528 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 3.7 t -58.61 -42.75 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.577 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -57.06 -41.2 78.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -59.89 -36.75 77.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.502 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 0.0 OUTLIER -66.62 -41.62 88.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.8 -32.65 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.402 ' HB3' ' CB ' ' A' ' 54' ' ' SER . 26.1 m170 -65.36 -40.31 93.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 109.584 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.479 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 1.1 mt-30 -86.62 -20.32 28.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 87' ' ' CYS . 20.5 ttt180 73.7 36.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.283 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 2.8 mt -75.68 141.31 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.158 . . . . 0.0 109.401 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.77 106.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 15.1 m -131.57 172.75 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.38 -47.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.9 170.65 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.528 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 55.0 m -60.29 -45.41 93.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.431 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.55 67.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 103' ' ' LYS . 2.0 tp10 -67.75 -32.0 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -69.29 -41.35 76.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 1.1 mp -56.73 -45.12 82.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.91 -40.12 65.76 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 109.235 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.404 ' CD ' ' O ' ' A' ' 99' ' ' GLU . 3.5 mptt -66.14 -61.23 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.564 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 2.7 pt -55.68 -27.9 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 3.6 mm-40 -59.25 -54.11 50.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.453 ' CG ' ' HE3' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -57.19 -51.03 70.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -52.59 -51.66 58.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.358 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -55.06 -52.8 62.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.427 1.079 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -53.06 -43.74 66.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.453 ' HE3' ' CG ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -59.01 -55.19 38.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.56 -51.05 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -53.81 36.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -51.49 -53.94 32.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.175 . . . . 0.0 109.242 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.47 -50.55 40.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.47 -54.42 37.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.43 -50.23 52.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -54.42 -54.65 37.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.97 -41.87 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.23 90.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.62 6.47 20.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -111.93 -5.25 14.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 73.3 p -118.04 164.62 14.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.465 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.42 -58.65 0.45 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -40.74 143.02 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 0.803 . . . . 0.0 109.254 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.9 m120 58.7 104.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.0 p -108.32 163.36 13.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -54.48 150.89 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 68.1 t -138.49 137.19 43.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.52 1.138 . . . . 0.0 109.39 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.01 162.3 31.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -165.01 150.46 9.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -124.54 153.4 42.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -140.34 93.25 9.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 0.0 111.024 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 140.43 25.68 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.431 1.753 . . . . 0.0 111.054 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 40.6 mm -116.93 138.92 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.4 m -42.05 147.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.1 135.7 39.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -87.42 117.25 26.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.81 150.14 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.51 117.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 178.39 -148.55 8.51 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.525 1.14 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -165.05 71.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 0.81 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 175.38 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.3 t 44.95 92.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.88 142.45 33.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.663 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -82.22 147.98 28.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.9 -176.57 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.473 ' CD1' HG21 ' A' ' 151' ' ' THR . 1.1 tt -83.4 143.48 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.83 160.64 52.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.946 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -23.35 13.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.442 1.759 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -37.26 87.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.473 HG21 ' CD1' ' A' ' 147' ' ' ILE . 0.6 OUTLIER -70.56 -35.49 73.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.454 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.503 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 25.7 mt -64.87 -43.11 94.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -67.75 -45.67 74.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.75 77.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.433 ' O ' ' N ' ' A' ' 158' ' ' VAL . 33.3 t-105 -61.97 -47.12 86.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 28.2 t -46.72 -43.64 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -61.25 -37.17 82.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 155' ' ' TRP . 47.8 t -70.05 -37.71 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 192' ' ' GLY . 77.0 t -52.93 -42.72 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.9 -38.56 64.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -40.6 85.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.485 ' O ' ' CG2' ' A' ' 168' ' ' VAL . 0.1 OUTLIER -179.05 72.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 162' ' ' LYS . . . -38.25 -48.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.668 ' CZ ' ' CD2' ' A' ' 277' ' ' TYR . 3.5 p90 -127.41 146.26 50.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 170.13 171.64 0.16 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -19.42 17.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.94 5.19 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 162' ' ' LYS . 13.9 t -102.22 -33.64 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.8 mm -52.17 -45.48 93.98 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.2 Cg_endo -75.05 -34.71 3.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -42.49 99.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.422 ' CE1' HD11 ' A' ' 266' ' ' ILE . 24.8 t80 -64.53 -32.42 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 6.8 p -70.56 -26.85 63.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.078 . . . . 0.0 109.952 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.34 -46.14 61.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.28 -21.5 53.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' SER . . . . . 0.472 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 9.9 p -106.19 14.13 28.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.942 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.68 99.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.352 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 58.79 63.5 5.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.71 -176.81 3.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.573 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.6 OUTLIER -116.44 -173.09 0.24 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 110.425 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.01 -42.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -69.86 -39.56 76.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.06 -46.89 61.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.474 ' CG ' ' O ' ' A' ' 180' ' ' THR . 19.8 mt -60.83 -48.79 80.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -55.07 -37.29 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.47 HG22 ' CD2' ' A' ' 152' ' ' LEU . 0.9 OUTLIER -61.76 -45.6 93.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.478 ' HA ' ' CD2' ' A' ' 152' ' ' LEU . 1.4 ttt -62.6 -45.27 93.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.472 HD23 ' CE ' ' A' ' 198' ' ' MET . 44.3 mt -72.03 -16.51 62.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -78.36 -35.18 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.493 ' OG1' ' CG2' ' A' ' 156' ' ' VAL . 7.1 t -86.09 -13.0 48.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -177.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.413 ' N ' HG13 ' A' ' 159' ' ' VAL . . . 165.76 98.09 0.12 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -147.96 -48.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.01 120.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.499 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -57.56 -39.84 77.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.551 1.157 . . . . 0.0 110.234 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.02 -49.34 76.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . 0.433 ' CB ' HG21 ' A' ' 273' ' ' ILE . . . -59.36 -49.57 77.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.472 ' CE ' HD23 ' A' ' 188' ' ' LEU . 0.9 OUTLIER -57.91 -33.6 68.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -66.35 -53.27 38.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -59.25 -46.28 88.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 0.0 111.049 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.471 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 1.5 tp -57.74 -39.28 76.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -41.33 96.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.5 tt0 -67.09 -37.59 84.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.245 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.18 -42.23 72.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.472 HD13 ' CG1' ' A' ' 266' ' ' ILE . 40.8 mt -66.52 -55.44 18.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -58.39 -42.77 87.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 38.3 tt0 -66.15 -29.35 69.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -35.05 78.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.459 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -72.91 -50.19 25.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.53 -48.17 75.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.95 -36.27 77.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . 0.506 ' CZ2' ' CG ' ' A' ' 216' ' ' HIS . 20.7 t-105 -57.65 -62.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.029 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . 0.48 ' OD1' ' CG ' ' A' ' 232' ' ' ARG . 53.6 m-20 -56.43 -32.75 65.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -58.61 -35.98 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 3.4 pp -106.64 -2.43 21.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . 0.506 ' CG ' ' CZ2' ' A' ' 212' ' ' TRP . 10.7 t60 -111.44 106.76 57.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.601 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 230' ' ' GLU . 12.5 p -85.16 49.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 218' ' ' VAL . 21.0 m80 47.79 -175.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.607 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -106.36 125.62 51.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . 0.404 ' HA2' ' HD3' ' A' ' 222' ' ' PRO . . . 116.81 137.87 6.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 223' ' ' ILE . 18.1 Cg_endo -75.03 54.33 3.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.466 HD13 ' CA ' ' A' ' 229' ' ' ARG . 4.4 pt 47.96 -174.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . . . . . . . . . . . -82.62 153.57 67.95 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 106.07 2.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 103.41 -20.63 41.76 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -82.93 172.2 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.576 ' HE1' ' CE3' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -74.9 164.37 26.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.466 ' CA ' HD13 ' A' ' 223' ' ' ILE . 0.0 OUTLIER -114.15 145.17 42.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 218' ' ' VAL . 0.1 OUTLIER -35.68 150.4 0.1 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . 0.468 ' CB ' HG22 ' A' ' 256' ' ' ILE . 18.3 Cg_endo -75.06 81.91 2.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . 0.48 ' CG ' ' OD1' ' A' ' 213' ' ' ASP . 2.5 mtm105 -86.2 -179.25 6.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.359 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -67.47 -38.39 90.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 5.5 m -72.67 -47.63 45.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 0.727 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -45.08 95.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.518 HG22 ' CH2' ' A' ' 265' ' ' TRP . 14.0 mt -60.59 -27.8 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -73.06 -16.29 61.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 85.57 22.16 51.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 15.4 t -90.66 -33.98 15.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 0.0 110.404 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 93.8 m -104.03 -3.27 24.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.32 153.26 45.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.556 ' CG2' ' N ' ' A' ' 243' ' ' LEU . 0.5 OUTLIER -86.34 175.69 8.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.167 . . . . 0.0 110.418 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.556 ' N ' ' CG2' ' A' ' 242' ' ' THR . 2.4 tm? -60.16 -62.84 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -47.89 -48.5 31.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . 0.447 ' O ' ' CE ' ' A' ' 228' ' ' MET . 1.1 mm-40 -61.13 -33.96 74.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 249' ' ' TRP . 3.1 tp60 -70.39 -72.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.51 ' CD1' HG22 ' A' ' 180' ' ' THR . 0.9 OUTLIER -41.36 -34.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -61.19 -48.22 86.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.726 ' CZ3' ' CE1' ' A' ' 252' ' ' HIS . 0.7 OUTLIER -67.33 -31.69 72.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 250' ' ' MET . . . . . 0.467 ' CE ' HG13 ' A' ' 247' ' ' ILE . 7.6 mtm -62.17 -26.34 68.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 15.3 t -116.81 22.3 12.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.726 ' CE1' ' CZ3' ' A' ' 249' ' ' TRP . 0.1 OUTLIER -78.56 173.9 11.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.647 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 43.3 m-20 -122.55 110.56 32.01 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.0 Cg_endo -75.07 159.41 97.99 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.933 0.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.01 119.93 5.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . 0.468 HG22 ' CB ' ' A' ' 231' ' ' PRO . 5.8 mt -92.68 133.21 29.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.434 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.3 Cg_endo -74.97 59.93 5.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.469 ' CG2' HG12 ' A' ' 236' ' ' ILE . 2.6 t -64.36 -68.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.33 -32.7 81.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -69.54 -32.99 72.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . 0.572 HG23 ' CZ2' ' A' ' 265' ' ' TRP . 8.6 mt -70.6 -39.44 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . 0.532 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.0 OUTLIER -63.92 -48.66 75.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.084 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -56.3 -33.98 66.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.601 1.188 . . . . 0.0 109.373 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 62.3 mtt-85 -67.22 -34.53 77.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.572 ' CZ2' HG23 ' A' ' 261' ' ' ILE . 47.0 m0 -62.18 -44.09 97.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 107.951 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.472 ' CG1' HD13 ' A' ' 205' ' ' ILE . 67.4 mt -56.84 -47.47 82.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -29.68 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -55.64 25.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.471 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.2 -58.2 13.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 169' ' ' ILE . 12.7 mt -44.03 -35.46 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -63.04 -45.91 90.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.0 OUTLIER -67.84 -37.39 81.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . 0.433 HG21 ' CB ' ' A' ' 197' ' ' ALA . 27.5 mt -64.88 -33.43 63.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 270' ' ' LEU . 94.0 t -68.77 -45.66 80.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -16.2 63.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.59 -37.89 12.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 0.668 ' CD2' ' CZ ' ' A' ' 164' ' ' PHE . 20.8 m-85 -101.42 15.54 28.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 111.063 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.98 154.59 80.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 8.6 t -137.76 139.85 40.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.35 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 27.5 p -140.14 158.92 43.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.6 142.98 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.5 170.98 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -174.85 113.77 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.574 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -178.06 142.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.606 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -176.5 151.03 0.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.55 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -178.63 150.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.548 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . 0.446 ' CD2' ' C ' ' A' ' 288' ' ' HIS . 0.3 OUTLIER -175.16 172.45 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.609 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.65 179.939 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.407 ' N ' ' CB ' ' A' ' 38' ' ' SER . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.61 110.21 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.27 171.5 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.64 -175.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.367 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.23 60.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.436 ' CG1' HG21 ' A' ' 34' ' ' ILE . 33.4 t -96.53 -65.31 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.619 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.2 mt -101.44 155.66 17.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.76 179.9 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.084 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.67 -57.8 17.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.11 -40.79 19.5 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.72 -39.89 82.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 0.818 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' A' ' 9' ' ' SER . 4.3 tp -67.92 -44.13 77.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -55.91 -35.83 67.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -44.86 63.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.619 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 48.9 t-105 -56.71 -53.03 62.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.43 -23.03 56.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.14 48.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 2.0 mm -129.46 143.29 41.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -97.41 142.21 29.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.5 mt -94.34 -123.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.524 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 174.36 -55.73 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -75.0 132.69 15.71 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.559 1.821 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.94 -1.49 59.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 127.06 -18.75 6.15 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 90.83 74.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 0.797 . . . . 0.0 109.335 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -141.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -133.77 143.03 48.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.464 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -58.62 148.09 30.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -139.91 172.44 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.96 -27.73 68.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -61.87 -45.02 95.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.38 -36.05 82.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.442 HG13 ' NE1' ' A' ' 16' ' ' TRP . 5.0 mt -63.65 -51.0 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.2 -43.1 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -62.44 -41.12 98.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 108.007 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 -51.73 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.407 ' CB ' ' N ' ' A' ' 2' ' ' GLY . 11.4 p -61.66 -34.84 76.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -60.56 -40.93 93.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.36 -34.76 79.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 82.0 mt -57.84 -50.11 74.4 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.27 -42.05 80.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -58.49 -37.71 76.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -76.05 0.42 18.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 67.8 46.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 6.1 p -124.94 149.9 29.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -64.57 131.41 95.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.78 18.5 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.586 1.835 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.47 -11.86 57.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.438 HD13 ' CD1' ' A' ' 60' ' ' ILE . 27.7 mt -72.07 -39.54 68.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.436 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 12.3 tp -68.73 -16.54 63.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -21.95 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.81 145.75 50.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.7 p -60.08 -32.64 71.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -63.99 -49.9 70.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.417 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -62.0 -34.95 90.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -43.77 94.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.51 ' HG3' ' CZ ' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -60.05 -38.49 82.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -39.82 89.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.471 HG21 ' CD2' ' A' ' 41' ' ' LEU . 1.5 mp -70.88 -72.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 tp -40.35 -37.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.05 -48.83 76.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' ILE . 1.5 tt0 -93.06 21.56 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 78' ' ' LEU . 21.0 tp -110.16 -27.6 9.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.606 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.2 tm0? -50.85 -45.72 87.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.94 -38.77 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' GLY . 25.6 m -68.32 -12.58 61.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.549 HD11 ' CD2' ' A' ' 79' ' ' TYR . 7.3 mt -70.58 -44.27 67.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -75.46 -6.49 50.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 1.7 t -117.91 -7.13 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.495 ' HA3' ' CD1' ' A' ' 75' ' ' LEU . . . -83.36 -100.06 0.54 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 p 169.8 -175.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.761 . . . . 0.0 109.995 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.68 -41.92 96.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.596 1.185 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -47.43 54.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.495 ' CD1' ' HA3' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -58.18 -34.85 70.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.423 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 33.3 ttt85 -62.19 -44.03 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.3 -35.2 67.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -61.94 -47.17 86.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.549 ' CD2' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -60.51 -41.57 94.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.476 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 2.6 t-20 -63.35 -31.62 72.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -70.02 -47.76 60.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.37 -43.34 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.644 1.215 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.554 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -49.56 -51.43 36.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.512 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 5.4 t -57.85 -43.8 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.577 HD11 ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.75 -43.71 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.51 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 39.6 t80 -60.25 -43.91 95.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -62.76 -37.43 86.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.2 t -61.06 -32.81 53.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 15.4 m170 -67.54 -40.24 85.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.57 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.496 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 6.0 mt-30 -86.77 -13.5 45.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 87' ' ' CYS . 34.5 mtp85 64.18 41.42 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.496 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.9 mp -76.01 141.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.16 106.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.424 ' CG2' ' SG ' ' A' ' 87' ' ' CYS . 17.7 m -139.12 174.0 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.235 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.02 -69.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.418 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -101.43 171.69 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.512 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 63.2 m -59.71 -42.45 93.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.418 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 1.2 tttt -61.12 -31.56 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -67.56 -32.28 72.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -68.53 -42.07 79.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.502 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 0.8 OUTLIER -56.57 -42.69 79.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -73.58 -42.52 61.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.416 ' CG ' HG21 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -65.3 -61.54 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.554 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.8 pt -55.32 -27.89 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 2.7 mt-10 -58.33 -54.08 51.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -58.52 -50.14 74.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.253 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -51.2 59.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -52.98 61.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -53.01 -43.77 66.75 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -54.45 46.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -52.21 44.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -53.11 -54.67 32.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.67 -47.46 20.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -62.61 -41.9 99.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.26 -60.8 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 117' ' ' GLN . 20.1 pt20 -57.79 -36.41 72.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.414 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 17.9 mt-30 -57.58 -55.68 31.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.498 ' O ' ' CG2' ' A' ' 122' ' ' THR . . . -53.11 -56.08 18.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.23 -16.91 23.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -99.21 1.46 44.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -146.2 37.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 118' ' ' ALA . 1.1 p -106.02 129.83 54.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.37 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -140.73 158.98 26.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 174.19 137.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -66.8 103.91 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.388 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.51 119.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -76.31 73.08 3.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.278 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.8 p -173.6 62.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.394 1.059 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 m 177.74 88.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.546 ' HG3' ' CD1' ' A' ' 132' ' ' TYR . 5.3 pt20 -178.68 154.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.223 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -97.69 105.79 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.546 ' CD1' ' HG3' ' A' ' 130' ' ' GLN . 11.5 p90 -150.11 93.56 3.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.148 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 76.79 3.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 8.7 tp -156.7 62.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.3 m -132.58 154.27 39.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -117.41 139.35 51.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 174.48 94.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -171.41 114.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -87.21 135.46 33.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -163.36 167.5 37.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 66.09 149.1 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 0.754 . . . . 0.0 110.294 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.478 ' C ' ' CG1' ' A' ' 143' ' ' VAL . 2.6 ptp -161.89 133.05 5.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.478 ' CG1' ' C ' ' A' ' 142' ' ' MET . 1.5 m 60.75 121.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 247' ' ' ILE . 0.2 OUTLIER -108.55 141.81 39.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 109.611 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -82.28 148.64 28.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.01 -174.69 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.14 142.67 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.62 161.76 47.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.929 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.15 14.14 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.449 1.762 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -44.31 89.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.478 ' OG1' ' CD2' ' A' ' 175' ' ' LEU . 2.3 t -70.31 -36.06 74.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.566 HD21 ' CE3' ' A' ' 155' ' ' TRP . 25.8 mt -64.03 -32.59 74.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.06 -47.1 66.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.64 -49.62 76.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.609 ' CD1' ' SD ' ' A' ' 187' ' ' MET . 1.9 t90 -61.81 -49.22 77.18 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 3.9 t -44.88 -44.11 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -60.1 -37.62 80.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 155' ' ' TRP . 75.6 t -69.42 -45.27 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.482 HG22 ' CE2' ' A' ' 155' ' ' TRP . 2.6 t -52.87 -46.21 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -21.66 61.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -76.82 -37.53 55.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -140.19 -57.97 0.54 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 84.23 -48.4 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.73 ' CE2' ' CD2' ' A' ' 277' ' ' TYR . 4.3 p90 -145.54 109.69 4.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.7 172.32 4.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -19.57 17.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.45 1.763 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.98 -2.46 53.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.563 HG11 ' CE1' ' A' ' 172' ' ' PHE . 2.9 t -99.92 -34.09 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 0.3 OUTLIER -49.89 -48.44 77.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.02 -34.22 3.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.431 ' HE3' ' CG1' ' A' ' 158' ' ' VAL . 1.8 tmm? -61.88 -36.12 80.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.563 ' CE1' HG11 ' A' ' 168' ' ' VAL . 4.6 m-30 -72.81 -35.5 67.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' SER . . . . . 0.436 ' HB2' ' CD1' ' A' ' 267' ' ' ILE . 3.6 t -73.38 -28.66 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.07 -45.64 63.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.478 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -74.63 -35.93 62.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' SER . . . . . 0.456 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 25.1 p -95.18 14.37 22.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 176' ' ' SER . 1.0 OUTLIER -38.0 101.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 57.48 66.15 3.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.99 172.91 6.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 0.795 . . . . 0.0 109.343 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.57 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.5 OUTLIER -96.86 -173.46 0.33 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.5 Cg_endo -74.98 -40.84 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.437 1.756 . . . . 0.0 111.052 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -70.43 -42.09 72.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.27 -49.56 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.234 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 176' ' ' SER . 21.4 mt -63.74 -37.06 85.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 38.0 t-20 -63.32 -34.53 77.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.403 HG22 ' CD1' ' A' ' 152' ' ' LEU . 0.3 OUTLIER -60.82 -45.3 94.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.609 ' SD ' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -68.27 -44.81 74.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 5.9 mp -80.89 6.03 14.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 1.9 t30 -102.04 -49.17 4.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 191' ' ' VAL . 2.3 t -97.69 11.6 36.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.172 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.469 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.9 OUTLIER -51.47 -176.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.408 ' N ' HG12 ' A' ' 159' ' ' VAL . . . -159.89 59.39 0.31 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -112.17 -71.27 0.59 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -177.81 130.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.543 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -57.52 -41.84 81.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.56 74.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.04 79.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.469 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.07 -33.19 68.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 111.044 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.85 -53.51 54.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 53.9 mtm -64.56 -46.4 82.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.478 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 1.4 tp -57.95 -41.97 83.95 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.574 1.171 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -61.29 -40.94 95.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 0.7 OUTLIER -66.77 -37.99 85.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.06 -40.69 74.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.478 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.441 HD12 ' CG1' ' A' ' 266' ' ' ILE . 31.4 mt -67.04 -55.99 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -40.92 85.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 32.8 tt0 -67.21 -29.21 68.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . 0.43 ' HA ' ' CG ' ' A' ' 211' ' ' GLU . 0.8 OUTLIER -64.72 -32.05 73.55 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -74.75 -49.75 19.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -58.31 -48.31 80.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . 0.43 ' CG ' ' HA ' ' A' ' 208' ' ' GLU . 3.0 pp20? -67.08 -36.52 82.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 216' ' ' HIS . 3.6 t-105 -59.08 -60.63 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 107.961 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -56.34 -33.2 65.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -59.23 -42.1 90.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.02 -1.92 56.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . 0.561 ' HB2' ' CH2' ' A' ' 212' ' ' TRP . 4.8 t60 -111.17 101.58 50.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.58 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 86.54 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 0.515 ' CG2' ' CB ' ' A' ' 230' ' ' GLU . 0.5 OUTLIER -58.23 127.64 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -93.95 71.48 4.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.67 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -176.64 171.97 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -94.05 -142.96 12.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 140.2 25.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . . . . . . . . . 16.7 tt -67.2 157.09 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . . . . . . . . . . . -91.87 163.22 28.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.255 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 101.74 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.788 . . . . 0.0 110.954 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 101.03 -15.32 58.12 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -96.31 179.71 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.272 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.569 ' HB3' ' CZ2' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -124.39 148.92 47.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.47 94.87 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.259 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . 0.515 ' CB ' ' CG2' ' A' ' 218' ' ' VAL . 15.8 mm-40 59.73 151.14 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 102.86 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -116.72 143.55 45.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . . . . . . . . . . . -51.19 -38.41 40.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -35.75 76.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 110.016 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -74.35 -48.5 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.551 HG23 ' CH2' ' A' ' 265' ' ' TRP . 7.0 mt -61.41 -24.24 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -77.07 -23.14 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 86.52 25.91 34.48 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.172 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.43 -38.44 49.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 0.781 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 25.2 m -130.42 5.44 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 8.4 t -121.61 157.92 29.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.471 ' CG2' ' HG2' ' A' ' 244' ' ' GLN . 0.7 OUTLIER -96.88 176.66 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' A' ' 247' ' ' ILE . 1.4 tm? -67.11 -58.74 4.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . 0.471 ' HG2' ' CG2' ' A' ' 242' ' ' THR . 0.4 OUTLIER -54.37 -23.12 14.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . 0.459 ' HB3' ' CE ' ' A' ' 228' ' ' MET . 6.5 mt-10 -71.05 -41.14 71.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 242' ' ' THR . 0.0 OUTLIER -67.93 -53.79 23.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.483 ' CD1' HG22 ' A' ' 180' ' ' THR . 0.9 OUTLIER -50.84 -41.2 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.88 -51.59 57.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.57 ' CZ3' ' CE1' ' A' ' 252' ' ' HIS . 0.7 OUTLIER -61.22 -31.93 71.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 24.0 mtm -68.13 -23.57 64.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 30.3 m -118.3 22.35 12.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.57 ' CE1' ' CZ3' ' A' ' 249' ' ' TRP . 0.3 OUTLIER -84.8 170.19 13.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.593 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 1.0 OUTLIER -122.03 111.0 32.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.2 Cg_endo -75.11 159.42 97.94 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.934 -2.528 . . . . 0.0 110.934 0.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.98 121.3 6.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 7.2 mt -89.9 139.75 27.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.178 . . . . 0.0 109.227 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.449 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.1 Cg_endo -75.0 55.15 3.86 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.56 1.821 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 259' ' ' GLY . 1.8 t -59.77 -60.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . 0.42 ' N ' HG13 ' A' ' 258' ' ' VAL . . . -60.98 -42.8 99.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -64.36 -32.38 73.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . 0.693 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 9.0 mt -66.3 -46.12 87.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . 0.453 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 0.3 OUTLIER -67.17 -46.69 73.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.925 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -56.18 -40.13 73.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -65.37 -32.93 74.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.693 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 55.0 m0 -62.06 -47.81 83.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 107.991 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.487 ' CG2' ' CD1' ' A' ' 270' ' ' LEU . 79.4 mt -57.28 -47.21 84.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 173' ' ' SER . 0.4 OUTLIER -60.59 -29.1 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -56.46 13.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.478 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.04 -58.66 11.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.487 ' CD1' ' CG2' ' A' ' 266' ' ' ILE . 14.7 mt -44.93 -33.1 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -64.26 -45.22 89.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 269' ' ' GLY . 66.0 mttt -69.17 -37.61 78.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 60.1 mt -59.7 -45.73 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 79.5 t -71.34 -41.35 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -58.06 -16.5 13.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.16 -28.68 14.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 0.73 ' CD2' ' CE2' ' A' ' 164' ' ' PHE . 7.7 t80 -103.38 17.36 24.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.155 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.91 116.49 48.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 58.14 4.8 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.545 1.813 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 42.4 p -139.29 -55.81 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 4.8 t 60.67 119.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.042 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -173.92 144.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 4.9 tt -157.36 132.92 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -139.19 67.06 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.577 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -104.57 170.93 7.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.64 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -173.81 92.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.633 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -129.81 170.28 14.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.599 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 62.19 117.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.551 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.551 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.86 156.52 44.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.758 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.52 134.78 48.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 64.15 176.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.6 56.59 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.464 ' CG1' HG22 ' A' ' 34' ' ' ILE . 30.0 t -98.21 -66.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.616 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -103.59 152.09 22.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.0 179.64 7.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.975 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.64 -57.46 18.8 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.41 -41.69 29.71 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -41.32 87.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.354 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 9' ' ' SER . 8.0 tp -65.05 -40.91 95.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -55.86 -31.58 62.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -44.86 29.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.629 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 42.1 t-105 -56.96 -63.69 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 107.98 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -53.69 -35.45 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -52.77 -55.42 22.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mt -54.06 142.7 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -100.31 154.07 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -75.54 -133.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.535 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 176.04 -56.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.6 Cg_endo -74.97 124.49 8.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.478 1.778 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.12 -1.19 60.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . 144.61 -127.37 2.91 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.0 57.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 0.0 109.242 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.62 -173.78 4.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.248 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.4 146.5 38.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.3 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.629 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 5.6 m-85 -60.16 149.74 31.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' HE2' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -143.29 163.29 33.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -60.96 -28.89 69.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -42.96 99.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.466 ' CE1' ' HE2' ' A' ' 30' ' ' LYS . 17.3 m80 -64.17 -36.32 83.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.464 HG22 ' CG1' ' A' ' 7' ' ' VAL . 7.1 mt -63.9 -50.21 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -49.44 -43.58 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -62.7 -40.6 97.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.4 -51.89 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.8 p -57.9 -34.89 70.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -60.75 -41.03 94.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.32 -34.97 79.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.233 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 77.1 mt -59.06 -49.33 78.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.96 -39.13 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.38 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -38.89 77.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -76.68 -0.39 23.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 70.01 46.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 9.9 p -124.9 149.4 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -65.13 135.2 96.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -18.96 18.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.78 -12.66 54.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.563 1.165 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.437 HD13 ' CD1' ' A' ' 60' ' ' ILE . 24.8 mt -73.51 -30.78 63.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 0.752 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' CD1' HD23 ' A' ' 85' ' ' LEU . 13.3 tp -78.51 -15.89 58.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -22.11 54.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.554 1.159 . . . . 0.0 110.378 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.96 150.39 48.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.446 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.517 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 11.1 t -64.79 -31.44 72.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.964 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 56' ' ' GLY . 12.7 pt-20 -63.07 -39.93 96.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.46 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -71.18 -40.41 61.46 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.431 1.082 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -44.0 94.41 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -34.58 73.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.08 -37.37 75.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.461 HG12 ' CD2' ' A' ' 41' ' ' LEU . 1.1 mp -70.99 -72.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.485 HD13 ' CZ ' ' A' ' 79' ' ' TYR . 10.6 tp -41.99 -38.01 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.51 -48.58 83.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.401 1.063 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.6 19.48 11.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 0.812 . . . . 0.0 110.359 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 79' ' ' TYR . 14.6 tp -104.13 -27.54 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.606 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.6 tm0? -51.94 -45.44 92.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.02 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.42 1.747 . . . . 0.0 111.012 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLY . 18.5 m -68.73 -12.03 60.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.583 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.9 mt -71.02 -43.8 67.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -74.64 -6.9 51.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.77 -5.08 10.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.388 1.055 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -82.42 -99.42 0.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.7 p 169.19 -175.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.54 -41.23 98.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -47.12 58.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.72 -33.86 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.483 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -61.59 -40.29 94.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.5 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -65.47 -30.8 71.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -63.86 -41.34 97.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.583 ' CD2' HD13 ' A' ' 68' ' ' LEU . 1.6 t80 -62.33 -42.77 99.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.557 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.1 OUTLIER -58.38 -32.19 68.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.3 m -68.64 -48.7 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.456 HD13 ' CG2' ' A' ' 60' ' ' ILE . 19.1 mt -67.06 -32.1 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.559 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -60.43 -58.79 7.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.243 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.568 HG13 ' CE2' ' A' ' 29' ' ' TYR . 3.1 t -58.14 -42.48 83.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.577 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.52 -46.34 80.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -60.02 -32.96 71.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -70.74 -37.96 73.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 108.267 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.8 t -62.88 -32.71 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 22.7 m80 -67.8 -40.24 83.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.483 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 5.8 mm-40 -84.98 -20.11 31.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER 71.43 39.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.483 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.9 mp -75.89 141.78 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -64.43 107.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.406 ' CG2' ' SG ' ' A' ' 87' ' ' CYS . 12.0 m -135.54 174.3 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -144.38 -48.03 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.245 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.92 170.86 9.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.457 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 99.2 m -59.63 -46.2 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -58.19 -32.03 67.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -33.2 74.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 110.352 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -70.09 -39.86 75.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 2.0 mp -56.65 -45.99 81.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -73.14 -41.0 64.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.464 ' CG ' HG22 ' A' ' 92' ' ' ILE . 7.2 mptt -64.53 -62.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.559 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.5 pt -55.48 -28.25 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 5.7 mt-10 -57.52 -53.94 52.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.36 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -49.04 79.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -52.03 -50.95 60.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -55.37 -52.83 62.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.06 -43.69 66.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -56.28 24.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -49.69 -49.85 45.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -54.06 34.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -54.85 26.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.12 -48.82 33.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.44 -55.46 25.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -50.89 -50.61 56.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -50.92 57.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.408 ' O ' ' OD1' ' A' ' 121' ' ' ASP . . . -57.53 -51.43 69.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.98 -20.85 3.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.421 1.076 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -91.56 -34.41 14.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 118' ' ' ALA . 0.3 OUTLIER -89.49 15.4 9.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.579 1.175 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.7 p -114.33 82.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.446 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -168.37 -58.54 0.03 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -118.97 116.47 26.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.25 153.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.5 t -176.73 155.68 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -178.66 143.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.14 163.62 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.05 149.7 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 179.13 148.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -176.14 151.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.268 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -163.99 92.49 1.06 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 151.41 40.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -170.37 130.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.6 p -143.13 144.46 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.17 127.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -151.77 165.37 34.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.184 . . . . 0.0 109.336 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.409 ' N ' HD11 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -175.74 148.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -149.32 171.38 16.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -112.24 86.27 0.42 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.96 170.7 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.774 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.5 mtt -42.68 116.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.5 p -174.41 145.58 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.428 ' HB2' ' CG2' ' A' ' 247' ' ' ILE . 3.0 t-160 -85.56 142.61 29.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.565 1.166 . . . . 0.0 109.619 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.92 148.08 28.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.52 -176.41 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 151' ' ' THR . 1.3 tt -84.47 143.43 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 159.88 54.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.032 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.93 14.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.561 1.822 . . . . 0.0 111.024 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.89 -37.37 87.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.472 HG23 ' CD1' ' A' ' 147' ' ' ILE . 0.6 OUTLIER -66.99 -36.01 81.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.413 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.489 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 23.7 mt -63.54 -43.05 98.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -37.45 85.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.06 75.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.565 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 63.7 t-105 -62.3 -43.76 98.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 108.042 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.499 ' CG2' ' OG1' ' A' ' 190' ' ' THR . 47.4 t -45.58 -43.49 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -70.27 -34.35 72.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 155' ' ' TRP . 92.4 t -63.71 -37.72 80.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.381 1.05 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 192' ' ' GLY . 25.1 t -67.89 -46.37 82.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -19.31 64.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.78 -38.5 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -127.81 -63.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.55 -48.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.85 60.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.22 170.76 4.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.029 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -19.19 17.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.767 . . . . 0.0 110.968 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -92.08 -1.57 57.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.095 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.402 ' C ' ' HD2' ' A' ' 170' ' ' PRO . 0.3 OUTLIER -102.68 -33.45 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.609 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.6 mm -51.49 -46.14 90.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.07 -35.49 3.06 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -33.77 75.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.526 ' CE2' HG22 ' A' ' 266' ' ' ILE . 2.3 t80 -68.41 -36.23 78.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.3 -41.66 96.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.114 . . . . 0.0 109.917 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.92 91.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.469 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -77.21 -10.01 59.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 9.0 t -111.19 13.74 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -42.17 103.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 40.75 66.01 0.94 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.91 -175.62 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.511 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 1.2 p -109.44 -177.25 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.575 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.2 Cg_endo -74.99 -36.75 2.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.565 1.824 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -70.01 -42.6 72.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 110.248 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . 0.444 ' OD2' ' CG1' ' A' ' 147' ' ' ILE . 0.0 OUTLIER -68.03 -48.99 64.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 60.7 mt -62.79 -39.48 94.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.67 -33.79 76.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.474 HG23 ' CD2' ' A' ' 152' ' ' LEU . 0.8 OUTLIER -60.6 -47.91 84.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.362 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.565 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 5.2 ttm -61.91 -46.24 90.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.84 -20.41 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -79.17 -41.78 27.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.499 ' OG1' ' CG2' ' A' ' 156' ' ' VAL . 2.0 t -78.23 0.1 26.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.443 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 192' ' ' GLY . 1.4 p -54.57 -167.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.419 ' N ' HG11 ' A' ' 191' ' ' VAL . . . -86.48 29.44 4.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.554 1.159 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . 56.65 27.58 55.24 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.401 ' O ' ' SD ' ' A' ' 198' ' ' MET . 0.8 OUTLIER -70.15 73.44 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 109.595 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -57.26 -43.66 83.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.67 77.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -60.61 -48.98 79.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.401 ' SD ' ' O ' ' A' ' 194' ' ' HIS . 0.0 OUTLIER -58.23 -33.5 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -62.97 -54.72 33.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 24.0 mtm -68.83 -29.01 67.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.468 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 35.6 tp -72.18 -36.42 69.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -64.94 -35.1 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.5 tt0 -67.9 -45.35 74.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.236 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.11 -49.47 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.82 -55.68 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -57.96 -32.55 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 0.7 OUTLIER -73.15 -29.71 63.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -64.95 -38.42 90.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.479 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -69.94 -50.35 42.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.74 -47.9 76.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . 0.422 ' OE2' ' CG ' ' A' ' 207' ' ' GLU . 3.0 mt-10 -67.08 -34.56 77.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . 0.601 ' CZ2' ' CE1' ' A' ' 216' ' ' HIS . 63.3 t-105 -61.62 -65.29 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -56.09 -33.05 64.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -30.59 70.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 2.4 pp -105.94 -4.66 20.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . 0.601 ' CE1' ' CZ2' ' A' ' 212' ' ' TRP . 0.6 OUTLIER -113.41 92.11 22.1 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.566 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 218' ' ' VAL . 18.3 Cg_endo -74.95 52.7 3.1 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 111.035 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 217' ' ' PRO . 75.2 t 37.4 55.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -68.78 97.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.573 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . 0.507 ' CB ' ' OE2' ' A' ' 230' ' ' GLU . . . -169.74 162.31 9.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -109.64 -141.77 9.3 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.567 1.167 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 123.2 7.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.768 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.421 HG22 ' CB ' ' A' ' 229' ' ' ARG . 1.4 pt -108.29 -179.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . . . . . . . . . . . -61.4 154.06 65.74 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 106.6 2.31 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.44 1.758 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 101.9 -21.19 42.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -58.15 -174.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 0.73 . . . . 0.0 110.238 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.591 ' HG3' ' CE2' ' A' ' 249' ' ' TRP . 8.0 ptt? -125.68 90.78 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.421 ' CB ' HG22 ' A' ' 223' ' ' ILE . 0.2 OUTLIER -50.95 -177.49 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.545 1.153 . . . . 0.0 110.255 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . 0.528 ' O ' ' CG ' ' A' ' 230' ' ' GLU . 6.2 pt-20 -36.82 113.25 0.59 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.377 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . 0.429 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.3 Cg_endo -74.97 143.26 28.95 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -85.16 169.34 13.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -44.22 -39.24 5.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -42.07 87.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . 0.429 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 10.2 m-20 -61.11 -39.44 89.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.473 ' CG1' ' CG2' ' A' ' 258' ' ' VAL . 3.8 mt -60.28 -33.05 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.99 -15.04 62.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 79.12 25.97 58.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.68 -38.29 13.99 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.462 0.742 . . . . 0.0 110.353 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 240' ' ' THR . . . . . 0.401 ' OG1' ' OD1' ' A' ' 235' ' ' ASP . 40.5 p -104.28 -0.7 27.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.93 141.92 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.6 OUTLIER -74.19 172.08 12.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.417 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.482 HD13 ' CG1' ' A' ' 247' ' ' ILE . 2.9 tm? -69.89 -57.75 4.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.54 -28.4 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . 0.47 ' CA ' ' HE2' ' A' ' 228' ' ' MET . 12.4 mt-10 -70.41 -48.81 54.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -67.33 -42.58 83.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.238 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.482 ' CG1' HD13 ' A' ' 243' ' ' LEU . 38.8 mm -48.92 -57.35 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -61.03 -45.44 96.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.591 ' CE2' ' HG3' ' A' ' 228' ' ' MET . 0.1 OUTLIER -56.05 -31.29 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 10.5 ttm -67.32 -40.96 86.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.9 p -107.05 22.32 16.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 255' ' ' PRO . 54.1 t-80 -86.85 170.04 12.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 109.57 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.446 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 6.1 m-20 -120.78 112.0 34.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.27 98.25 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.049 0.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.09 122.35 7.11 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . 0.535 HD11 ' CD1' ' A' ' 249' ' ' TRP . 6.8 mt -92.47 112.44 55.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.276 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.41 3.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.473 ' CG2' ' CG1' ' A' ' 236' ' ' ILE . 0.3 OUTLIER -64.91 -40.75 90.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.18 -40.21 98.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.46 -31.84 70.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 110.31 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . 0.571 HG22 ' CZ2' ' A' ' 265' ' ' TRP . 21.4 mt -63.31 -45.91 96.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . 0.575 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 34.4 t80 -73.34 -45.73 53.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.08 -37.26 69.09 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.586 1.179 . . . . 0.0 109.218 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.422 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -68.59 -34.37 75.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.571 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 52.6 m0 -62.2 -46.05 90.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 107.978 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.526 HG22 ' CE2' ' A' ' 172' ' ' PHE . 48.2 mt -56.95 -47.32 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.474 HD13 ' CD2' ' A' ' 172' ' ' PHE . 0.3 OUTLIER -60.07 -32.92 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -57.77 11.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.468 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.07 -58.75 11.37 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.517 ' CD1' ' CG2' ' A' ' 266' ' ' ILE . 12.8 mt -43.0 -34.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.11 -47.75 78.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 269' ' ' GLY . 3.5 tttt -66.71 -38.47 86.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 26.7 mt -62.28 -44.64 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 270' ' ' LEU . 97.3 t -64.38 -46.03 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.135 . . . . 0.0 109.216 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -60.89 -16.24 39.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.4 ttt -95.2 -37.9 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -95.67 16.95 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 12.3 p -72.04 152.69 92.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 104.14 1.85 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.47 1.774 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 21.1 m -152.84 -60.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.88 163.45 40.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 1.4 pt -139.69 153.3 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 4.3 tp -177.23 160.72 1.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -167.31 166.73 14.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.56 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -178.7 154.48 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.564 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -174.11 163.62 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -175.46 151.69 1.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.557 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 33.2 t60 56.9 165.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 109.59 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.627 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 52.45 176.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.25 168.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 63.03 172.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -135.66 -179.38 5.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 110.037 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.468 ' CG1' HG22 ' A' ' 34' ' ' ILE . 2.9 t -63.1 -49.38 83.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.621 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.7 mt -106.08 160.5 15.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.33 179.93 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.023 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.11 -57.55 19.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.155 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.12 -39.5 23.26 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -39.59 81.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 31' ' ' LEU . 13.9 tp -69.92 -40.78 75.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -31.63 63.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -79.7 -42.06 25.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.738 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 31.5 t-105 -57.0 -62.37 1.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -56.43 -36.86 69.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -51.45 -48.43 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 15' ' ' LYS . 2.5 mp -56.0 143.36 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -100.58 164.05 12.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.513 HD23 ' CG ' ' A' ' 29' ' ' TYR . 15.8 mt -99.5 -148.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.45 171.92 7.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 130.15 12.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.79 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.25 -1.01 60.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.475 1.11 . . . . 0.0 110.98 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.15 -163.09 20.12 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -57.02 -36.72 70.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.41 0.712 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER 80.81 -3.43 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.347 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -149.23 143.5 25.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 0.0 110.346 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.738 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 1.5 m-85 -82.46 152.18 26.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -142.87 167.71 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -63.06 -27.47 69.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -45.84 92.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -63.18 -35.65 81.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.58 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.468 HG22 ' CG1' ' A' ' 7' ' ' VAL . 3.7 mt -62.88 -49.91 81.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.4 -41.4 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.472 ' CZ3' ' HA ' ' A' ' 78' ' ' LEU . 52.6 t90 -62.25 -37.67 86.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.003 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.471 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . . . -58.83 -53.64 56.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.5 p -63.39 -34.77 78.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -60.52 -35.37 75.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 110.363 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.52 -34.33 69.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' CD1' HD22 ' A' ' 51' ' ' LEU . 6.7 mt -57.81 -50.86 71.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 5.8 pt-20 -62.34 -31.72 72.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -76.23 -12.92 60.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -98.93 -0.18 42.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 76.72 25.58 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.8 p -114.95 150.51 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.84 135.12 96.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -18.89 18.33 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.521 1.801 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.52 -13.64 51.39 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.5 mt -71.49 -16.75 62.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -85.76 -7.63 58.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -92.22 -21.68 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.24 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.1 p -125.43 147.58 49.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 110.42 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.571 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 15.5 t -70.11 -26.33 63.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -63.4 -50.16 70.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.466 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -67.87 -35.13 84.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.494 ' SG ' ' CG2' ' A' ' 82' ' ' ILE . 5.4 t -64.05 -41.82 97.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -59.84 -36.47 76.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -29.94 70.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 1.1 mp -73.9 -74.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 79' ' ' TYR . 13.6 tp -40.81 -36.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.88 -49.11 79.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.451 1.095 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -95.79 22.48 7.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.356 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 79' ' ' TYR . 14.8 tp -109.87 -26.95 9.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.598 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 5.7 tm0? -53.3 -45.1 98.57 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.08 -40.45 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.575 1.829 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 71' ' ' GLY . 44.1 m -68.7 -11.59 60.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.386 1.053 . . . . 0.0 110.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.595 HD11 ' CD2' ' A' ' 79' ' ' TYR . 6.2 mt -71.21 -43.22 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -73.5 -7.26 51.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.415 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 3.9 t -121.49 -4.73 9.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -78.8 -97.6 0.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.437 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 11.8 p 164.15 -172.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.508 0.769 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -43.2 99.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 8.3 pt-20 -72.64 -38.6 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 4.9 tt -65.84 -34.7 78.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.447 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -62.3 -49.05 77.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.66 -35.43 65.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.472 ' HA ' ' CZ3' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -60.79 -47.21 87.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.595 ' CD2' HD11 ' A' ' 68' ' ' LEU . 1.6 t80 -63.43 -41.12 98.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.496 ' CG ' ' CG2' ' A' ' 97' ' ' THR . 1.4 t-20 -61.67 -32.34 72.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.1 m -70.52 -47.13 61.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.404 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.494 ' CG2' ' SG ' ' A' ' 57' ' ' CYS . 72.8 mt -63.76 -42.5 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.112 . . . . 0.0 109.38 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.585 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -51.41 -53.47 36.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.56 HG11 ' CE2' ' A' ' 29' ' ' TYR . 3.8 t -58.9 -42.82 86.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.574 HD11 ' CZ3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.52 -40.98 75.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.404 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 31.8 t80 -59.91 -39.66 86.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.417 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -67.97 -36.98 80.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 0.0 108.301 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.9 t -66.33 -41.88 89.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 20.7 m80 -55.89 -40.12 72.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.577 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.46 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 0.4 OUTLIER -89.22 -14.86 34.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.298 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.48 39.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.46 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.3 mp -75.81 140.97 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.31 94.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.465 HG23 ' CG1' ' A' ' 19' ' ' ILE . 15.7 m -111.03 172.76 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.09 -51.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.396 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.12 170.44 11.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.52 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 54.1 m -60.41 -45.65 92.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -31.29 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.59 -38.62 88.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -67.69 -37.63 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.478 ' CD1' ' OD1' ' A' ' 80' ' ' ASN . 2.0 mp -54.43 -48.26 71.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -73.42 -40.4 64.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.216 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -63.31 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.585 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -55.28 -27.7 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.12 -54.03 49.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -46.71 89.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -51.04 59.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.16 -52.88 61.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -52.96 -43.98 66.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -61.53 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.64 -43.69 17.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -57.39 -55.51 33.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -52.08 -55.07 23.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -49.94 34.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.41 -55.48 24.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -49.79 48.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -53.01 53.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.89 -58.12 8.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -43.79 -58.67 2.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -40.7 -53.18 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -57.41 -58.16 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.6 p -67.41 101.51 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 110.449 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -86.58 58.67 4.65 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.424 1.078 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -41.53 141.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 0.818 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -124.97 167.15 15.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.07 167.56 28.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -136.7 171.49 14.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.0 p -161.28 166.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.4 t -155.27 167.19 31.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -159.96 171.42 19.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -160.9 166.77 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.562 ' CD2' ' HD2' ' A' ' 133' ' ' PRO . 0.8 OUTLIER -131.82 155.8 80.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.562 ' HD2' ' CD2' ' A' ' 132' ' ' TYR . 18.1 Cg_endo -74.99 -179.12 4.67 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.571 1.827 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 79.6 mt -140.38 132.67 32.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.6 p -112.78 150.05 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.91 163.45 40.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -171.35 167.75 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 138' ' ' LEU . 2.1 pt? -159.13 123.77 4.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -170.85 142.28 1.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -175.63 135.25 2.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -176.03 89.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.222 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 142' ' ' MET . 33.9 mmt -67.35 168.79 10.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.8 p -168.78 172.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.456 ' HB2' ' CD1' ' A' ' 243' ' ' LEU . 8.7 p80 -66.79 103.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -111.46 122.97 49.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.89 174.28 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.424 ' CG2' HD11 ' A' ' 152' ' ' LEU . 0.5 OUTLIER -84.95 143.11 12.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.03 160.69 51.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.08 14.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -65.02 -39.74 93.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.17 . . . . 0.0 110.339 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.81 -38.29 64.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.535 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 27.4 mt -65.57 -33.17 75.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -48.55 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.33 -49.15 78.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.611 ' CZ2' ' O ' ' A' ' 187' ' ' MET . 3.2 t90 -61.61 -49.69 75.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.038 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.553 HG21 ' CE3' ' A' ' 155' ' ' TRP . 2.9 t -45.87 -44.22 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -60.22 -34.23 73.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 155' ' ' TRP . 96.9 t -72.04 -45.43 63.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 2.7 t -57.51 -44.61 85.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.613 1.196 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -36.16 68.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -55.53 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 11.3 mmtt -127.51 -52.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.96 -47.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.523 ' CE2' ' HA3' ' A' ' 193' ' ' GLY . 11.8 m-85 -143.27 124.52 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 177.99 171.38 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -19.44 17.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.545 1.813 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.07 0.05 55.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.407 ' C ' ' HD2' ' A' ' 170' ' ' PRO . 0.3 OUTLIER -103.72 -33.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.627 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 29.2 mm -53.09 -45.47 98.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -74.93 -37.65 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -31.72 72.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.599 ' CE2' ' SD ' ' A' ' 187' ' ' MET . 0.8 OUTLIER -64.85 -44.43 89.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.024 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 81.3 p -68.13 -31.05 70.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.72 91.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.398 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.22 -31.77 55.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 25.0 t -87.35 13.89 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.13 94.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 71.29 57.34 6.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.72 -175.82 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.555 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.5 OUTLIER -120.65 -174.61 0.3 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.555 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.4 Cg_endo -74.97 -41.99 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.15 -46.45 64.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -61.43 -49.22 77.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.77 -32.39 73.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 2.3 m-20 -62.0 -42.61 99.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -39.98 92.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.611 ' O ' ' CZ2' ' A' ' 155' ' ' TRP . 1.2 ttm -69.85 -45.95 66.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.472 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 0.3 OUTLIER -81.74 6.73 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 2.5 t30 -101.68 -46.36 4.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 191' ' ' VAL . 1.6 t -97.49 7.78 45.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.499 ' HA ' ' CZ2' ' A' ' 155' ' ' TRP . 1.7 p -51.39 -175.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -154.05 79.91 0.19 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . 0.523 ' HA3' ' CE2' ' A' ' 164' ' ' PHE . . . -135.92 -62.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 171.78 129.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.628 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -58.0 -42.15 84.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.83 -49.38 75.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.1 79.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.472 ' CE ' ' HG ' ' A' ' 188' ' ' LEU . 5.7 mmt -58.03 -33.42 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -71.85 -54.53 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -58.98 -33.06 70.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.473 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 3.1 tp -69.68 -37.99 76.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -57.53 -39.6 76.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -40.17 88.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.38 -36.2 78.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.472 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 201' ' ' LEU . 24.5 mt -69.85 -55.33 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -57.88 -42.78 85.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 109.372 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.76 -35.7 81.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -68.56 -27.57 66.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.474 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -69.14 -50.19 50.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.22 80.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -38.63 91.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . 0.464 ' CZ2' ' CD2' ' A' ' 216' ' ' HIS . 58.9 t-105 -57.89 -62.33 1.89 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.27 -33.19 65.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -30.11 68.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 2.7 pp -106.68 -2.51 21.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . 0.464 ' CD2' ' CZ2' ' A' ' 212' ' ' TRP . 0.3 OUTLIER -112.1 95.55 30.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.563 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 230' ' ' GLU . 22.3 m -73.29 139.4 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.48 56.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.601 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -61.42 154.38 24.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -93.36 -142.83 12.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.79 2.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.451 1.764 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.471 HD11 ' CA ' ' A' ' 228' ' ' MET . 15.3 tt -104.1 161.57 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 227' ' ' GLN . . . -69.55 150.64 96.85 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 98.36 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.533 1.807 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 112.54 -11.89 25.72 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 224' ' ' ALA . 0.0 OUTLIER -69.73 -56.02 8.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.566 ' HE3' ' CE3' ' A' ' 249' ' ' TRP . 0.0 OUTLIER 176.12 -176.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 230' ' ' GLU . 1.8 ptt180 167.18 85.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . 0.468 ' HB3' ' CG1' ' A' ' 218' ' ' VAL . 8.5 mm-40 36.52 89.91 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . 0.427 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.3 Cg_endo -75.05 141.98 27.14 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . 0.427 ' CG ' ' OD1' ' A' ' 235' ' ' ASP . 13.8 ptt180 -85.8 171.25 11.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -46.02 -38.3 8.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 57.9 m -66.96 -36.18 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 1.7 m-20 -69.45 -48.04 62.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.409 ' HA ' ' NE2' ' A' ' 246' ' ' GLN . 12.1 mt -60.56 -18.47 16.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . 0.548 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . . . -75.39 -20.68 58.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.595 1.184 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 97.14 17.68 31.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.29 -38.22 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 24.2 m -114.58 -0.27 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 75.5 m -134.27 145.4 49.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.559 ' CG2' ' N ' ' A' ' 243' ' ' LEU . 0.4 OUTLIER -90.19 176.68 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.559 ' N ' ' CG2' ' A' ' 242' ' ' THR . 3.4 tm? -69.37 -51.62 34.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . 0.43 ' N ' HG23 ' A' ' 242' ' ' THR . 35.1 tt0 -50.8 -52.89 36.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -61.06 -31.08 70.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . 0.438 ' CD ' ' CG1' ' A' ' 258' ' ' VAL . 0.8 OUTLIER -69.18 -72.59 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.482 ' HA ' ' CE ' ' A' ' 250' ' ' MET . 0.6 OUTLIER -42.74 -33.91 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -61.84 -51.8 54.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.566 ' CE3' ' HE3' ' A' ' 228' ' ' MET . 0.8 OUTLIER -65.63 -33.35 75.69 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 250' ' ' MET . . . . . 0.482 ' CE ' ' HA ' ' A' ' 247' ' ' ILE . 0.9 OUTLIER -57.56 -35.78 70.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.7 p -118.06 22.12 12.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 83.1 t60 -79.94 170.13 16.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.488 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 1.9 m-20 -120.57 111.52 34.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -74.94 159.46 97.96 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.029 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -75.0 124.9 8.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 4.6 mt -101.53 136.42 19.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.5 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.0 Cg_endo -75.02 59.09 5.11 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.597 1.841 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.438 ' CG1' ' CD ' ' A' ' 246' ' ' GLN . 2.5 t -65.2 -68.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . 0.422 ' N ' HG13 ' A' ' 258' ' ' VAL . . . -63.31 -31.81 82.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.067 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.26 -36.14 76.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . 0.614 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 7.0 mt -63.65 -42.24 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . 0.566 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 0.4 OUTLIER -63.98 -39.36 93.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.074 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -62.34 -45.51 92.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.413 ' N ' ' HD2' ' A' ' 263' ' ' LYS . 0.2 OUTLIER -55.22 -36.47 66.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.311 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.614 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 46.5 m0 -61.95 -43.29 99.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.054 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.49 ' CG2' ' CD1' ' A' ' 270' ' ' LEU . 90.1 mt -57.81 -47.82 85.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -29.75 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -59.56 5.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.473 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.27 -58.86 10.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.509 ' CB ' ' CD1' ' A' ' 169' ' ' ILE . 11.4 mt -42.7 -35.93 1.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 0.737 . . . . 0.0 109.329 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.29 -47.35 82.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 269' ' ' GLY . 7.3 tptt -66.12 -37.56 86.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . 0.451 ' CD1' ' HA ' ' A' ' 270' ' ' LEU . 16.4 mt -62.39 -46.07 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 74.1 t -62.98 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -63.71 -16.33 60.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -92.21 -38.01 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' A' ' 277' ' ' TYR . 16.3 t80 -97.48 15.48 23.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.6 151.44 52.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.2 4.77 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.538 1.81 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 15.0 t -138.77 156.54 47.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.358 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 65.4 p -132.24 170.48 14.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.96 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -82.4 138.54 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 1.2 tt -176.04 130.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -178.26 167.04 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.551 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -151.22 174.09 13.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.653 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -141.14 160.25 40.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.609 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -177.85 156.37 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.619 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.0 168.02 20.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.581 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.623 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.2 158.77 18.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 0.808 . . . . 0.0 109.274 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.94 56.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -170.82 176.02 4.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.42 58.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.467 ' CG1' HG22 ' A' ' 34' ' ' ILE . 2.9 t -114.61 -64.7 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.605 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 10.7 mt -98.35 151.55 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.81 179.74 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.72 -57.67 18.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -41.07 27.37 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.49 -39.54 84.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.236 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.495 ' CB ' ' O ' ' A' ' 9' ' ' SER . 7.2 tp -66.87 -41.23 87.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 37.0 t0 -55.84 -32.04 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -44.92 35.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.605 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 53.3 t-105 -56.58 -61.38 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.91 -21.76 45.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 7.5 tttt -90.52 40.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.449 ' CD1' HG11 ' A' ' 84' ' ' VAL . 56.8 mt -141.46 145.88 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.19 150.4 21.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.535 HD22 ' C ' ' A' ' 27' ' ' LYS . 1.3 pt? -112.03 -125.86 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.572 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -176.65 -58.17 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.226 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.572 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.94 129.96 12.89 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.422 1.748 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.22 -1.63 59.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . 153.0 -128.03 2.35 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.77 36.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' C ' HD22 ' A' ' 21' ' ' LEU . 16.7 tttt -104.1 -121.51 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 4.3 pt20 -129.0 158.41 38.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 16' ' ' TRP . 3.1 m-85 -73.64 156.03 38.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.442 1.089 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -130.57 173.96 10.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' CD1' HD12 ' A' ' 13' ' ' LEU . 2.6 mm? -61.04 -28.04 68.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.61 -45.55 93.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -62.93 -35.68 80.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.574 1.171 . . . . 0.0 109.594 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.467 HG22 ' CG1' ' A' ' 7' ' ' VAL . 3.5 mt -62.56 -49.53 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -51.46 -43.3 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.409 ' CZ2' ' OE2' ' A' ' 40' ' ' GLU . 61.6 t90 -62.7 -40.72 98.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.434 ' CB ' HG21 ' A' ' 81' ' ' THR . . . -59.1 -53.0 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.204 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.33 -35.58 77.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.41 1.069 . . . . 0.0 109.977 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -41.08 95.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.409 ' OE2' ' CZ2' ' A' ' 36' ' ' TRP . 1.6 mt-10 -63.11 -37.5 87.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD2' HG12 ' A' ' 60' ' ' ILE . 17.8 mt -61.25 -45.09 95.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -56.89 -35.58 69.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -24.71 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -75.98 -3.95 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 77.62 22.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.0 p -116.59 147.42 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.95 138.13 97.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -18.69 18.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.11 -12.18 54.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.434 1.084 . . . . 0.0 111.006 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.447 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 23.5 mt -76.36 -17.56 59.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.796 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 8.1 tp -90.71 -4.79 56.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.03 -22.09 27.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.85 160.82 28.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.482 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.513 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 4.9 t -69.89 -32.6 71.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 110.034 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.13 -49.76 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.45 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -61.61 -41.54 99.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.08 -41.91 97.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -59.95 -41.74 92.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -38.86 91.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.382 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.459 HG12 ' CD2' ' A' ' 41' ' ' LEU . 1.1 mp -71.97 -73.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.484 HD13 ' CD2' ' A' ' 79' ' ' TYR . 11.6 tp -41.61 -37.62 1.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.23 -48.99 83.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.02 22.97 8.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD21 ' CD2' ' A' ' 79' ' ' TYR . 14.2 tp -108.71 -25.49 10.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.598 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 tm0? -53.51 -45.57 98.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.99 -39.93 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 71' ' ' GLY . 36.8 m -68.65 -12.06 60.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.029 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.7 mt -71.22 -43.74 66.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -7.0 51.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.457 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.9 t -119.97 -5.15 10.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.418 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.42 -99.04 0.4 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.3 p 168.37 -176.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -41.08 96.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -71.23 -46.91 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.4 tt -60.68 -34.14 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.488 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.37 -43.4 98.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.9 t -62.09 -30.73 71.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.423 HD23 ' CD1' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -65.75 -47.17 76.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.589 ' CD2' HD13 ' A' ' 68' ' ' LEU . 1.7 t80 -58.87 -42.87 90.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -57.02 -37.75 72.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.46 HG22 ' CH2' ' A' ' 16' ' ' TRP . 79.5 m -60.18 -48.0 83.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.423 ' CD1' HD23 ' A' ' 78' ' ' LEU . 5.1 mt -67.05 -37.9 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.563 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -57.28 -58.52 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 109.358 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.523 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 3.2 t -58.23 -42.3 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.57 ' CD1' ' CZ3' ' A' ' 16' ' ' TRP . 2.5 mp -56.98 -36.12 69.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -60.16 -53.26 59.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 111.054 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -33.11 72.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.0 t -66.16 -38.55 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.513 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 0.7 OUTLIER -57.82 -40.18 79.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.459 ' CB ' HD12 ' A' ' 92' ' ' ILE . 1.9 mm-40 -91.41 -8.45 47.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 64.27 43.32 4.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.459 HD12 ' CB ' ' A' ' 90' ' ' GLN . 2.2 mp -75.92 141.43 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -62.95 95.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.2 m -117.1 174.01 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -140.26 -58.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.475 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 3.6 p-10 -121.96 170.7 9.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.523 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 2.4 m -60.35 -44.41 95.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.433 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.475 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 0.3 OUTLIER -57.13 -32.95 66.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.45 -33.09 73.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.338 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -71.0 -39.73 72.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.64 -47.54 79.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.71 -41.22 65.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -63.03 -62.12 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.563 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.9 pt -55.83 -27.97 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.55 -54.0 51.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.38 -48.92 79.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -51.98 -51.03 59.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -55.39 -52.92 61.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -52.97 -43.89 66.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -58.89 -55.96 28.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.87 -50.31 46.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.936 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.99 -53.11 36.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.346 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.405 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -54.28 -49.55 69.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -18.12 51.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.23 -67.08 0.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.405 ' NE2' ' HA ' ' A' ' 113' ' ' LYS . 20.6 pt20 -47.13 -41.81 18.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.231 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -70.17 -37.75 75.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.61 95.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.71 -43.11 99.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.217 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.53 3.09 42.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.37 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -96.64 -42.43 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 75.3 p -38.63 154.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 105.32 -150.14 16.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 59.45 92.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.443 0.731 . . . . 0.0 109.265 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 19.0 t30 62.72 92.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.85 169.87 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -149.52 156.85 42.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.7 p -162.34 149.08 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.36 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.9 p -163.48 168.33 20.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.49 165.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 64.0 t30 177.59 166.28 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.527 ' CD2' ' HD2' ' A' ' 133' ' ' PRO . 0.2 OUTLIER -146.47 155.82 49.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.527 ' HD2' ' CD2' ' A' ' 132' ' ' TYR . 18.3 Cg_endo -75.0 -179.25 4.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.578 1.831 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.0 tp -173.87 149.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.4 p -129.27 114.77 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -178.74 148.89 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -166.52 110.58 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.58 104.87 0.2 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -148.07 171.43 15.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -119.88 74.44 0.32 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.6 167.18 13.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 110.261 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 85.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.9 t -140.88 134.0 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.574 ' CE1' HG23 ' A' ' 247' ' ' ILE . 22.3 m80 -83.33 143.25 30.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.581 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -81.29 148.13 29.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.48 -170.15 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 186' ' ' THR . 1.4 tt -77.65 144.01 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.0 163.36 46.22 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -24.68 12.52 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.448 1.762 . . . . 0.0 111.054 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -61.13 -45.12 95.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.406 HG21 ' CD1' ' A' ' 147' ' ' ILE . 0.6 OUTLIER -70.14 -40.27 74.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.72 -33.97 76.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.32 -39.66 92.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.75 -46.44 82.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.524 ' CH2' ' CD2' ' A' ' 172' ' ' PHE . 1.3 t-105 -61.43 -48.62 80.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 108.007 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 53.3 t -47.25 -41.78 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -70.51 -32.13 69.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 155' ' ' TRP . 89.5 t -66.15 -45.11 91.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.416 HG23 ' NE1' ' A' ' 155' ' ' TRP . 16.9 t -70.18 -46.41 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -16.53 64.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.262 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -82.94 -51.39 7.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -124.49 -52.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.36 -48.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.523 ' CD2' ' HB1' ' A' ' 163' ' ' ALA . 17.8 p90 -150.01 113.26 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.421 ' N ' HG23 ' A' ' 274' ' ' VAL . 1.0 OUTLIER -170.76 171.17 2.73 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.969 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -18.65 18.51 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.06 1.61 55.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.487 ' CG2' ' CE1' ' A' ' 172' ' ' PHE . 0.3 OUTLIER -104.6 -34.19 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.639 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.0 mm -55.64 -44.79 99.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.03 -37.71 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -34.94 77.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.524 ' CD2' ' CH2' ' A' ' 155' ' ' TRP . 5.4 m-30 -64.87 -42.71 94.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.05 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.5 p -70.88 -31.06 67.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.999 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.47 93.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.3 -29.75 60.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 16.0 t -87.76 14.24 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.979 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -44.92 98.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 60.76 59.01 10.93 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.06 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -100.36 -177.82 3.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 0.726 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.568 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.2 OUTLIER -110.31 -173.89 0.28 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.5 Cg_endo -74.93 -41.81 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.441 1.758 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -70.15 -64.75 0.83 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -43.57 -39.21 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 263' ' ' LYS . 23.0 mt -66.88 -48.93 67.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -54.75 -36.18 64.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.469 HG23 ' CG2' ' A' ' 147' ' ' ILE . 0.7 OUTLIER -61.17 -44.23 97.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 110.358 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.505 ' HG2' ' CD2' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -62.58 -45.72 91.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.463 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 2.7 mp -56.65 -25.85 54.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -72.51 -47.7 46.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 191' ' ' VAL . 0.9 OUTLIER -64.82 -9.97 24.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 188' ' ' LEU . 0.7 OUTLIER -54.23 -168.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.431 ' N ' HG12 ' A' ' 191' ' ' VAL . . . -84.37 22.98 7.71 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . 57.97 27.94 60.23 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -69.52 74.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.625 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.53 -43.29 84.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.39 75.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -60.87 -48.7 80.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.463 ' CE ' ' HG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -57.99 -32.97 68.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.15 -55.13 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 31.4 mtm -61.82 -46.52 89.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.495 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 1.9 tp -62.8 -35.86 81.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -56.03 -40.64 73.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 1.7 tt0 -66.79 -37.15 84.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.6 -37.68 73.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.471 ' CG1' HD12 ' A' ' 201' ' ' LEU . 6.3 mt -70.34 -56.58 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.94 -42.98 86.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 48.4 tt0 -68.59 -29.3 67.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.21 -35.24 79.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.464 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -72.74 -50.11 26.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.604 1.19 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.12 75.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -69.08 -34.59 75.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . 0.466 ' O ' ' N ' ' A' ' 216' ' ' HIS . 26.5 t-105 -60.45 -65.2 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.037 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -56.3 -33.21 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.237 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -58.91 -34.7 71.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' A' ' 215' ' ' LEU . 2.0 pp -106.74 -3.28 20.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.332 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . 0.568 ' CE1' HG21 ' A' ' 218' ' ' VAL . 2.4 t60 -113.05 93.19 24.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.622 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 114.19 3.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.546 1.814 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 216' ' ' HIS . 69.0 t -103.33 47.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 48.0 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -105.0 147.51 27.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . 0.404 ' HA2' ' HD3' ' A' ' 222' ' ' PRO . . . 109.64 139.43 8.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . 0.404 ' HD3' ' HA2' ' A' ' 221' ' ' GLY . 18.4 Cg_endo -74.95 142.93 28.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.572 1.827 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 228' ' ' MET . 1.3 pp -64.5 -176.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . . . . . . . . . . . -95.7 157.77 35.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.97 2.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 97.42 -22.32 41.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.155 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -106.94 60.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.374 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.586 ' HG3' ' CZ2' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -55.56 90.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 104.74 17.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 71.83 67.74 0.34 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . 0.473 ' CB ' ' CB ' ' A' ' 235' ' ' ASP . 18.2 Cg_endo -75.08 134.12 17.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -87.0 -172.49 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -52.78 -38.48 53.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.29 -47.58 76.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.946 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . 0.473 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.3 m-20 -59.61 -43.68 93.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.625 1.203 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.502 ' CG1' ' CG2' ' A' ' 258' ' ' VAL . 4.0 mt -60.39 -24.29 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . 0.488 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . . . -72.44 -22.92 61.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 100.44 16.89 25.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 10.2 t -82.56 -37.58 24.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 1.3 m -110.28 -2.94 16.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 3.3 t -136.56 147.85 47.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.93 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.445 HG21 ' CG ' ' A' ' 245' ' ' GLU . 1.8 t -93.6 -177.99 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.458 ' CD2' HD12 ' A' ' 247' ' ' ILE . 3.0 tm? -69.79 -56.0 8.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -47.1 -49.91 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . 0.453 ' HB3' ' CE ' ' A' ' 228' ' ' MET . 22.5 mt-10 -65.35 -31.37 72.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . 0.482 ' HG3' ' CG1' ' A' ' 258' ' ' VAL . 1.3 tp-100 -62.71 -63.89 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' A' ' 144' ' ' HIS . 1.0 OUTLIER -53.24 -41.22 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.22 -42.92 98.88 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.507 1.129 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.586 ' CZ2' ' HG3' ' A' ' 228' ' ' MET . 0.6 OUTLIER -65.05 -35.54 81.51 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 26.5 mtm -66.11 -28.24 68.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 73.8 p -118.45 21.93 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.544 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 20.6 t-80 -88.9 169.45 11.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.649 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.544 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 5.1 m-80 -120.28 112.01 34.79 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . 0.489 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.98 159.57 97.81 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.054 -2.478 . . . . 0.0 111.067 0.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -75.0 119.67 5.75 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.543 1.812 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 4.0 mt -95.83 122.74 57.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 261' ' ' ILE . 18.4 Cg_endo -74.98 53.92 3.47 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.408 1.741 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 259' ' ' GLY . 0.3 OUTLIER -65.97 -50.5 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . 0.514 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -66.67 -38.57 93.31 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -69.44 -31.92 70.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . 0.571 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 7.1 mt -63.13 -43.52 98.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . 0.544 ' CD2' ' HB3' ' A' ' 181' ' ' PRO . 0.2 OUTLIER -64.22 -44.13 92.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.448 ' HB2' ' CD1' ' A' ' 184' ' ' LEU . 0.3 OUTLIER -60.92 -43.47 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -34.51 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.571 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 43.2 m0 -66.22 -43.04 87.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 108.017 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.473 ' CG2' HD13 ' A' ' 270' ' ' LEU . 66.7 mt -57.36 -47.97 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.59 -30.45 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -59.96 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.495 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.09 -57.8 15.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.546 ' CB ' ' CD1' ' A' ' 169' ' ' ILE . 13.3 mt -42.48 -36.31 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -63.91 -47.8 79.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 269' ' ' GLY . 15.4 tttp -64.23 -43.29 95.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 9.2 mt -58.94 -43.69 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 165' ' ' SER . 22.6 t -64.87 -46.0 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -16.35 20.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -96.94 -37.92 10.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.586 1.179 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.54 17.81 12.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.08 154.99 92.22 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 23.9 m -124.43 141.97 51.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.366 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 50.4 p -135.23 164.56 27.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.047 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.67 153.2 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.614 1.196 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.43 141.4 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -99.16 170.84 8.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.616 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -153.44 170.7 20.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 67.99 113.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.62 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.51 152.14 51.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.624 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 74.75 -63.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.646 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.596 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.06 128.92 8.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? 62.64 103.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -102.13 72.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -144.8 -179.42 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.447 HG11 ' CG2' ' A' ' 34' ' ' ILE . 8.5 t -62.98 -48.86 86.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.618 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 14.4 mt -108.66 150.03 28.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.65 179.44 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.53 -58.24 15.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.8 -41.23 29.07 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.453 ' OE1' ' CG1' ' A' ' 88' ' ' VAL . 4.5 mm-40 -59.62 -35.15 73.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' A' ' 9' ' ' SER . 3.9 tp -72.77 -34.37 66.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.96 -31.73 67.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -77.14 -46.07 24.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.618 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 64.1 t-105 -58.37 -38.27 76.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.055 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -71.5 -25.59 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -87.63 47.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mm -132.59 133.82 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -95.71 141.01 29.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 mt -85.99 -126.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.491 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 170.11 -54.58 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.99 124.83 8.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.46 -0.93 61.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.33 -109.87 0.64 Allowed Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.41 62.97 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 0.76 . . . . 0.0 109.241 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -92.49 -170.75 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -120.44 143.52 48.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CG ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -53.06 148.97 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.194 . . . . 0.0 111.019 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -138.2 171.0 15.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.1 mm? -62.05 -26.5 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -61.7 -43.07 99.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -65.81 -35.95 82.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.447 ' CG2' HG11 ' A' ' 7' ' ' VAL . 5.0 mt -64.11 -50.57 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -51.21 -44.42 29.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -62.67 -39.83 95.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.632 1.207 . . . . 0.0 107.958 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.28 74.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -34.74 78.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.085 . . . . 0.0 109.973 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -41.25 94.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -34.9 79.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 76.5 mt -60.95 -47.79 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.218 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -39.71 75.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.441 1.088 . . . . 0.0 110.245 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.3 -37.95 76.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -76.02 -4.4 41.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 74.53 44.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.358 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 9.9 p -124.88 150.07 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.18 132.25 95.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -18.84 18.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.537 1.809 . . . . 0.0 111.052 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.34 -11.48 56.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 mt -72.53 -32.53 66.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 tp -78.88 -16.59 56.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.96 -22.03 58.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.0 p -125.85 157.32 37.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.416 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.561 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 6.9 t -70.12 -30.77 68.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.07 -45.38 93.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.463 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -68.43 -36.66 84.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.8 -41.45 97.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -41.3 91.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -36.36 83.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.47 ' CG2' HD11 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -71.99 -73.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.228 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.548 HD13 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -45.45 -32.94 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.368 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.24 -49.01 78.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -98.32 22.05 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.37 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.504 HD22 ' CD2' ' A' ' 79' ' ' TYR . 14.1 tp -110.38 -23.87 10.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.603 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 7.9 tm0? -53.95 -45.18 99.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.324 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.96 -39.86 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.491 ' HA ' ' CG2' ' A' ' 70' ' ' THR . 48.8 m -67.93 -11.17 58.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 79' ' ' TYR . 9.1 mt -68.78 -46.36 68.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -75.81 -6.73 52.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.491 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 1.2 t -114.86 -7.68 12.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 110.483 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.504 ' HA3' ' CD1' ' A' ' 75' ' ' LEU . . . -83.51 -99.45 0.56 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.427 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.7 p 167.18 -173.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.72 -41.98 96.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -72.04 -47.5 51.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.504 ' CD1' ' HA3' ' A' ' 71' ' ' GLY . 0.9 OUTLIER -59.31 -33.51 71.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.506 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 1.8 ttp180 -62.56 -45.24 93.84 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.57 1.169 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -31.98 67.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.48 ' CD1' HD23 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -65.17 -47.09 78.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.394 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' HD12 ' A' ' 68' ' ' LEU . 2.1 t80 -64.75 -43.43 93.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.494 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 1.5 t-20 -57.51 -30.66 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.4 m -69.41 -48.13 61.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.364 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.47 HD11 ' CG2' ' A' ' 60' ' ' ILE . 10.6 mt -65.76 -34.7 72.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.515 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -55.28 -58.77 6.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.505 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.6 t -58.17 -41.07 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.57 HD11 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.64 -39.05 73.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.367 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -61.72 -52.45 64.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -35.46 73.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 108.3 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.453 ' CG1' ' OE1' ' A' ' 12' ' ' GLU . 4.3 t -63.33 -40.44 89.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 54' ' ' SER . 44.7 m-70 -56.31 -40.27 74.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.54 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.456 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 6.3 mm-40 -91.16 -9.2 46.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.358 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 64.89 43.75 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.456 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.0 mp -76.04 141.45 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.74 92.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.8 m -111.38 173.42 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -137.25 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -123.01 171.3 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.505 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 57.9 m -58.86 -48.7 80.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -32.11 67.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -68.61 -34.46 75.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.513 ' O ' ' CG2' ' A' ' 104' ' ' ILE . . . -71.17 -38.52 72.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.494 ' CD1' ' OD1' ' A' ' 80' ' ' ASN . 0.5 OUTLIER -56.2 -52.09 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -70.57 -41.05 72.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -61.25 -61.83 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.515 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 2.3 pt -56.14 -27.71 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -56.16 -53.82 52.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.53 -46.71 88.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -51.05 59.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -52.93 61.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 0.0 110.341 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -52.96 -43.8 66.63 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -58.98 -56.05 27.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.78 -50.6 44.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.27 -54.32 32.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -51.13 -53.76 31.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -50.7 41.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.03 28.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -49.67 -49.8 45.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -55.51 -51.56 66.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.08 -55.88 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.0 -22.87 61.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.89 -21.4 57.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -94.31 -52.82 4.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.0 m 57.02 160.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 110.422 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -90.68 57.82 3.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.602 1.189 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -175.04 94.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.271 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 174.5 154.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.79 136.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -178.95 133.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.3 p -173.92 142.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.84 128.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 0.0 109.981 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.15 128.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 178.71 140.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -174.5 93.48 0.31 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 153.27 41.22 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.575 1.829 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 15.8 pt -141.18 171.47 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 66.1 t 63.25 95.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.606 1.191 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.76 95.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.2 p30 176.84 160.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.413 ' N ' HD11 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -175.13 157.17 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -165.89 170.36 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -140.6 145.65 16.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -173.77 170.85 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.4 ptp -58.48 165.83 1.99 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 35.4 m -152.0 111.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.5 ' CD2' HG12 ' A' ' 247' ' ' ILE . 49.1 t60 -71.01 142.66 50.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.569 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -82.07 148.09 28.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.603 1.19 . . . . 0.0 110.239 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.58 -175.91 2.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.47 HG21 ' CG2' ' A' ' 186' ' ' THR . 2.2 tt -81.81 143.86 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.32 164.56 40.34 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -25.09 12.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -64.52 -36.98 85.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.462 HG23 ' CD1' ' A' ' 147' ' ' ILE . 0.4 OUTLIER -71.43 -44.42 64.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.476 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 18.9 mt -58.73 -41.19 85.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -68.24 -36.43 79.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.48 73.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.597 ' CZ2' ' CG2' ' A' ' 159' ' ' VAL . 25.9 t-105 -62.76 -48.57 78.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 107.965 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 41.4 t -44.87 -43.13 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -38.73 92.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.403 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 155' ' ' TRP . 71.8 t -63.97 -45.16 97.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.597 ' CG2' ' CZ2' ' A' ' 155' ' ' TRP . 22.7 t -64.04 -42.32 95.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -64.93 -38.03 89.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -57.88 10.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.521 ' O ' ' CG2' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -160.69 64.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 162' ' ' LYS . . . -35.98 -46.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 164' ' ' PHE . 20.1 p90 -113.69 105.55 13.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 274' ' ' VAL . 1.4 p -174.06 164.69 2.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.32 18.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.12 3.52 51.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 162' ' ' LYS . 0.3 OUTLIER -106.18 -33.37 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 4.9 mm -60.21 -43.59 94.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.03 -36.0 2.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.432 ' CE ' HG21 ' A' ' 158' ' ' VAL . 5.8 mmm -61.85 -42.09 98.62 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.576 1.172 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.577 ' CZ ' HG22 ' A' ' 266' ' ' ILE . 1.5 t80 -57.48 -44.45 84.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 53.2 p -59.84 -34.68 73.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.85 90.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.354 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.32 -21.0 54.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.6 p -87.83 13.74 10.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.74 102.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.356 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 42.29 70.96 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.66 -175.46 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.506 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 1.3 p -117.65 -176.92 0.41 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.571 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.3 Cg_endo -75.06 -44.27 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -69.88 -51.77 30.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.36 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.99 -48.97 72.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.428 ' CG ' ' O ' ' A' ' 180' ' ' THR . 82.4 mt -66.49 -39.89 88.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.58 1.175 . . . . 0.0 109.226 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -54.98 -33.43 62.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.47 ' CG2' HG21 ' A' ' 147' ' ' ILE . 0.3 OUTLIER -73.31 -37.46 66.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.553 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 1.0 OUTLIER -61.47 -43.4 98.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.959 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 266' ' ' ILE . 53.3 mt -84.41 -24.08 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -53.6 -43.27 68.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.483 ' O ' ' O ' ' A' ' 191' ' ' VAL . 9.9 t -95.75 -56.23 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.382 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.514 ' CG2' ' CE ' ' A' ' 198' ' ' MET . 0.3 OUTLIER 39.79 -163.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.506 ' C ' ' CG1' ' A' ' 159' ' ' VAL . . . -178.25 40.53 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . 0.456 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -120.76 30.03 5.65 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 1.3 t60 84.55 131.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 0.795 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -37.73 80.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.52 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . 0.474 ' HA ' ' CE ' ' A' ' 200' ' ' MET . . . -58.69 -49.76 76.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.514 ' CE ' ' CG2' ' A' ' 191' ' ' VAL . 0.3 OUTLIER -59.84 -33.04 71.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 0.0 111.025 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.31 -54.9 29.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' MET . . . . . 0.474 ' CE ' ' HA ' ' A' ' 197' ' ' ALA . 3.5 ptp -63.26 -28.34 69.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.458 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 3.2 tp -71.77 -43.11 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -61.76 -32.58 72.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -46.5 73.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.341 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.76 -40.16 84.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.412 HD12 ' CG1' ' A' ' 266' ' ' ILE . 13.6 mt -64.43 -55.35 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -58.99 -42.04 89.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.71 -29.47 70.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -62.41 -42.6 99.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.236 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.475 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -65.38 -47.76 75.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.97 74.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 21.6 t-105 -61.12 -51.56 68.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -38.07 73.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -59.65 -41.58 90.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 1.8 mt -83.69 -0.85 52.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . 0.647 ' CD2' ' NH2' ' A' ' 232' ' ' ARG . 0.3 OUTLIER -111.91 96.25 32.77 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.573 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 82.29 2.04 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.502 1.79 . . . . 0.0 111.026 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 26.9 m -119.34 107.43 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.57 168.89 24.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.612 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . 60.22 152.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 91.07 110.4 1.58 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 82.19 2.06 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.447 ' CG2' ' HD3' ' A' ' 229' ' ' ARG . 4.3 pt -47.21 172.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . . . . . . . . . . . -72.05 160.01 83.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 102.75 1.62 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.586 1.835 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 103.47 -17.19 51.26 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.568 1.167 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.09 126.23 14.03 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.516 0.774 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.568 ' HB3' ' CZ2' ' A' ' 249' ' ' TRP . 2.7 ttp -91.63 57.61 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.447 ' HD3' ' CG2' ' A' ' 223' ' ' ILE . 2.6 ttt85 -50.18 -179.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 229' ' ' ARG . 1.2 mt-10 -36.02 97.23 0.12 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.233 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 229' ' ' ARG . 18.4 Cg_endo -74.97 120.07 5.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.491 1.784 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . 0.647 ' NH2' ' CD2' ' A' ' 216' ' ' HIS . 0.1 OUTLIER -85.75 174.37 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . 0.515 ' HA2' ' CZ2' ' A' ' 265' ' ' TRP . . . -37.06 -38.7 0.36 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.38 -52.3 64.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 110.049 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . 0.433 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.0 OUTLIER -61.76 -48.37 81.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.529 HG22 ' CH2' ' A' ' 265' ' ' TRP . 20.2 mt -61.79 -14.67 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -83.2 -22.79 33.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 98.02 18.59 26.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 2.2 t -89.12 -37.68 14.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.395 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 23.9 m -105.86 -0.3 25.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 14.3 t -144.1 155.65 44.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -96.14 174.79 6.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.566 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 3.1 tm? -59.38 -54.7 43.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -52.14 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.26 -32.4 72.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.11 -69.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.566 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 0.7 OUTLIER -46.68 -38.57 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.24 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.59 -51.95 55.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.568 ' CZ2' ' HB3' ' A' ' 228' ' ' MET . 0.8 OUTLIER -63.44 -31.41 72.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 7.7 mtm -66.02 -30.51 71.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.8 p -116.87 22.18 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 255' ' ' PRO . 57.6 t60 -84.41 172.4 11.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.574 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 9.4 m120 -120.37 112.79 34.11 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.108 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.5 Cg_endo -74.98 159.2 98.36 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.043 -0.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -74.94 121.2 6.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.558 1.82 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 249' ' ' TRP . 7.6 mt -88.17 132.94 38.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.408 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.1 Cg_endo -75.03 55.58 4.0 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.47 ' CG2' HG12 ' A' ' 236' ' ' ILE . 2.2 t -64.45 -62.77 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 258' ' ' VAL . . . -61.03 -35.95 91.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -32.37 71.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . 0.571 HG23 ' CZ2' ' A' ' 265' ' ' TRP . 8.7 mt -71.51 -45.81 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 0.9 OUTLIER -63.83 -48.1 78.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -55.96 -31.56 63.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -68.0 -35.11 77.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.571 ' CZ2' HG23 ' A' ' 261' ' ' ILE . 36.4 m0 -61.99 -47.31 85.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 108.008 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.577 HG22 ' CZ ' ' A' ' 172' ' ' PHE . 58.4 mt -57.1 -46.68 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.493 HD12 ' CD2' ' A' ' 172' ' ' PHE . 0.2 OUTLIER -60.14 -31.15 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -56.58 19.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.458 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -62.49 -57.42 16.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 169' ' ' ILE . 12.5 mt -44.48 -35.42 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -62.88 -45.06 94.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 269' ' ' GLY . 1.3 ttmp? -69.01 -37.47 78.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.403 1.064 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 48.8 mt -62.29 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 165' ' ' SER . 55.1 t -71.21 -37.01 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -68.46 -16.26 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -37.79 18.19 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.88 15.2 29.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 77.9 p -71.93 113.76 23.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 68.6 p 39.16 81.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 3.9 m -103.88 -58.52 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.07 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 62.2 mt 46.35 69.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' A' ' 285' ' ' HIS . 0.2 OUTLIER -62.09 161.97 10.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . 0.442 ' CG ' ' O ' ' A' ' 284' ' ' HIS . 1.2 p-80 -155.04 117.17 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.643 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . 0.477 ' CE1' HD21 ' A' ' 283' ' ' LEU . 0.4 OUTLIER -164.3 146.05 8.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.414 1.071 . . . . 0.0 109.61 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.59 123.35 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.591 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -178.27 147.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.594 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -113.29 173.76 6.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.102 . . . . 0.0 109.571 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.66 -61.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 0.729 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.62 85.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.231 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.0 -61.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -142.54 -179.6 6.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.465 HG12 ' CG2' ' A' ' 34' ' ' ILE . 4.7 t -63.08 -48.73 86.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.608 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.4 mt -106.26 158.31 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.92 -179.87 7.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.0 -57.72 18.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.72 -39.37 21.32 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' A' ' 89' ' ' HIS . 1.3 mt-10 -58.87 -40.93 85.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 0.77 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' CD2' HD11 ' A' ' 31' ' ' LEU . 6.1 tp -70.27 -35.47 73.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -33.89 76.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.42 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -76.15 -45.85 31.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.276 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.608 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 12.9 t-105 -56.64 -51.96 66.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.038 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.64 -24.71 65.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -13.53 60.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.454 HG13 ' CG1' ' A' ' 84' ' ' VAL . 25.9 mm -65.73 142.3 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.16 149.95 26.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.552 HD21 ' CD2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -139.68 -159.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.596 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.6 OUTLIER -175.81 -59.37 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.596 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.97 122.75 7.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.79 10.29 12.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.35 -175.03 15.41 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -115.94 14.29 16.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER 89.96 0.31 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -155.01 144.94 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -90.92 150.23 21.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 111.017 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -142.31 174.57 10.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.45 HD11 ' CD2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.43 -26.16 67.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -45.68 92.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -35.86 82.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.651 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.465 ' CG2' HG12 ' A' ' 7' ' ' VAL . 4.1 mt -63.73 -50.57 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.46 -42.63 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -62.51 -41.58 98.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.475 ' CB ' HG21 ' A' ' 81' ' ' THR . . . -59.23 -50.63 73.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -34.83 77.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 2.0 mtp180 -60.77 -35.92 77.64 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.5 ' OE2' ' CZ ' ' A' ' 43' ' ' ARG . 17.8 mm-40 -71.2 -34.83 71.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 96.0 mt -61.03 -50.11 74.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 9.2 pt-20 -61.97 -31.97 72.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.218 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.5 ' CZ ' ' OE2' ' A' ' 40' ' ' GLU . 11.7 mtp180 -62.85 -38.71 91.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 46.6 t80 -79.08 -2.58 41.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 73.76 48.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 5.6 p -125.04 150.0 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.066 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.65 131.24 95.07 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.84 18.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.74 -13.06 55.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.431 1.082 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.2 mt -74.19 -29.28 61.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 0.0 109.236 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 85' ' ' LEU . 9.3 tp -79.61 -14.06 59.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.08 -22.04 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.89 152.56 45.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.579 1.174 . . . . 0.0 110.39 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.508 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 5.1 p -70.04 -28.38 65.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.973 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -63.3 -49.98 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.457 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -70.35 -34.93 68.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -42.79 97.42 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -59.91 -43.04 95.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -58.77 -40.59 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 1.1 mp -67.7 -69.8 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 79' ' ' TYR . 14.6 tp -43.46 -34.3 1.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.09 -49.13 59.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -91.01 19.92 5.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 110.314 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.501 HD23 ' CD2' ' A' ' 79' ' ' TYR . 15.5 tp -111.56 -27.06 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.605 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -53.03 -45.11 98.35 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.234 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.91 -40.38 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -68.17 -12.1 60.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.942 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.6 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.6 mt -71.08 -44.12 66.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -7.15 51.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.445 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 3.0 t -120.16 -5.54 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.29 -98.78 0.39 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.49 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 33.7 p 166.42 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.04 -41.07 86.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -46.61 60.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.4 ' CD2' HD22 ' A' ' 68' ' ' LEU . 6.7 tt -59.74 -34.38 72.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.267 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.456 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 12.0 ttt180 -61.08 -48.94 79.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -35.88 65.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.953 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.427 HD11 ' CD1' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -61.2 -47.32 86.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.6 ' CD2' HD13 ' A' ' 68' ' ' LEU . 1.7 t80 -63.07 -43.36 98.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.483 ' CG ' ' CG2' ' A' ' 97' ' ' THR . 1.7 t-20 -56.21 -33.52 65.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.475 HG21 ' CB ' ' A' ' 37' ' ' ALA . 20.4 m -70.72 -44.84 66.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.443 HD11 ' CG2' ' A' ' 60' ' ' ILE . 21.7 mt -63.77 -39.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.559 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -57.92 -54.85 42.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.533 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 11.0 t -58.32 -44.45 88.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.54 HD13 ' CZ3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.9 -41.22 77.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 61.3 t80 -67.67 -49.58 62.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.513 ' HB2' ' CG1' ' A' ' 92' ' ' ILE . 4.4 p -60.12 -32.17 70.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.86 -46.72 95.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.508 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 20.7 t-80 -71.78 -23.76 61.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.52 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 4.9 tp-100 -85.08 -20.71 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 73.5 42.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.52 ' CD1' ' HB3' ' A' ' 90' ' ' GLN . 4.9 mm -76.18 141.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -75.93 70.82 2.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.1 m -110.97 173.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -135.06 -54.87 0.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.0 170.88 7.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.533 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 54.1 m -60.6 -44.52 96.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -61.16 -31.14 70.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -32.0 72.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -68.55 -47.67 66.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 2.1 mp -56.21 -37.66 69.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -73.06 -47.03 48.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -58.9 4.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.559 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.5 pt -54.7 -27.98 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 1.3 tm-20 -63.95 -53.88 43.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -51.69 66.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.84 -52.11 58.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -52.62 62.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -53.05 -43.9 67.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -59.8 4.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -22.26 16.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.957 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -67.23 -65.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -58.28 -34.24 70.3 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.424 1.078 . . . . 0.0 109.371 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.416 ' N ' ' HG2' ' A' ' 113' ' ' LYS . 0.3 OUTLIER -61.59 -53.81 51.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.41 -55.62 23.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -50.55 -50.3 53.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.13 -55.08 31.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.278 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.85 -42.09 64.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.56 89.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.06 8.04 19.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' THR . 23.8 t0 -98.35 -41.09 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' ASP . 57.0 p -38.46 156.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.95 55.75 6.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -41.44 105.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.357 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 45.66 92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 94.4 p -178.42 170.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 30.5 pt20 -108.02 164.24 12.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.374 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 129' ' ' SER . 75.6 t -132.44 138.25 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.413 ' N ' HG11 ' A' ' 128' ' ' VAL . 16.2 m -159.63 161.11 34.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.968 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -157.74 162.93 38.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.23 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.27 160.07 11.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -113.14 93.98 28.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.8 39.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 10.9 tt -166.67 167.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.1 p -86.88 149.45 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -173.72 129.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -179.36 143.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.46 173.56 11.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -141.88 171.42 14.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 165.26 159.07 11.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 111.069 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -135.64 171.42 14.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 16.7 tpt -122.56 144.97 48.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 35.4 m -115.22 176.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.514 ' CG ' ' CD1' ' A' ' 243' ' ' LEU . 0.2 OUTLIER -66.67 113.33 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.607 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.27 129.59 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.85 167.0 22.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.468 ' CD1' HG21 ' A' ' 151' ' ' THR . 1.1 tt -97.14 143.56 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.73 159.77 54.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.8 14.42 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -64.72 -37.25 86.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.468 HG21 ' CD1' ' A' ' 147' ' ' ILE . 0.7 OUTLIER -69.06 -33.71 74.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.495 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 25.5 mt -69.39 -40.59 77.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.4 -35.27 73.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.44 -49.26 64.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.56 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 26.5 t-105 -62.37 -48.21 80.79 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 37.8 t -50.91 -43.38 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -61.03 -31.82 71.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.468 HG22 ' CE ' ' A' ' 171' ' ' MET . 52.9 t -75.52 -40.56 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 192' ' ' GLY . 13.0 t -64.77 -38.69 83.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.22 -30.61 48.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -88.77 3.42 51.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 8.9 mttt -161.39 -72.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.97 -48.25 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 277' ' ' TYR . 34.0 p90 -156.21 121.15 4.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.65 170.23 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -19.04 18.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.423 1.749 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -93.88 0.64 56.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.408 ' N ' ' HD2' ' A' ' 170' ' ' PRO . 0.3 OUTLIER -104.25 -33.97 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 22.9 mm -53.93 -45.07 99.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.204 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.01 -35.48 3.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.468 ' CE ' HG22 ' A' ' 158' ' ' VAL . 0.8 OUTLIER -62.22 -38.48 89.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.572 ' CZ ' HG22 ' A' ' 266' ' ' ILE . 3.7 t80 -62.98 -44.19 96.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -38.42 75.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.9 90.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 187' ' ' MET . 0.1 OUTLIER -77.12 -11.56 59.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.6 p -102.84 14.11 32.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.965 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 178' ' ' GLY . 3.2 tt0 -42.94 100.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.12 70.08 0.26 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.76 -177.11 3.27 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.443 0.731 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.573 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.6 OUTLIER -110.25 -173.0 0.24 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.132 . . . . 0.0 110.442 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -74.98 -41.82 0.61 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.562 1.822 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -70.16 -43.71 70.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.38 -49.23 74.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 38.6 mt -64.25 -41.43 96.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -57.73 -38.01 74.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.469 ' CG2' ' CD1' ' A' ' 152' ' ' LEU . 1.0 OUTLIER -60.73 -46.99 88.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 0.0 110.408 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.56 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.4 OUTLIER -66.22 -45.41 80.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.438 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 1.1 mp -69.23 -10.14 56.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -88.33 -29.87 20.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.467 ' CG2' HG21 ' A' ' 156' ' ' VAL . 6.6 t -92.76 -5.45 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.45 HG11 ' CE ' ' A' ' 198' ' ' MET . 1.0 OUTLIER -52.61 -175.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.414 ' N ' HG13 ' A' ' 191' ' ' VAL . . . -171.98 54.08 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -106.88 26.52 19.12 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 80.1 151.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.59 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -70.82 -37.87 73.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.15 76.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.01 -49.91 76.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.45 ' CE ' HG11 ' A' ' 191' ' ' VAL . 1.7 mmt -58.01 -33.37 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -60.03 -52.08 66.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.9 mtp -66.93 -29.33 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.475 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 12.3 tp -62.37 -42.82 99.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 0.0 OUTLIER -68.36 -29.1 67.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 2.7 tt0 -66.72 -46.54 75.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.233 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -48.87 43.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 12.9 mt -58.33 -55.62 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 49.4 t-20 -57.64 -37.72 73.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 23.1 mt-10 -66.59 -29.51 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -44.24 96.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.481 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -65.39 -45.03 85.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -53.98 -46.5 71.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -60.87 -33.41 73.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . 0.51 ' CZ3' HD13 ' A' ' 215' ' ' LEU . 0.0 OUTLIER -57.17 -66.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -58.01 -32.45 67.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -58.24 -35.66 72.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . 0.51 HD13 ' CZ3' ' A' ' 212' ' ' TRP . 1.8 pp -106.84 -3.88 19.87 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 212' ' ' TRP . 1.4 t-80 -111.38 98.75 41.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.532 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.72 4.06 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.443 1.76 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 0.409 HG23 ' ND1' ' A' ' 216' ' ' HIS . 83.7 t -65.36 87.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.97 150.89 36.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.579 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . 59.28 164.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 102.48 138.77 10.17 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 114.41 4.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.609 1.847 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.463 HG12 ' CG ' ' A' ' 229' ' ' ARG . 0.4 OUTLIER -67.13 132.53 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . 0.422 ' HB1' ' CG ' ' A' ' 227' ' ' GLN . . . -67.3 159.86 74.87 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 107.28 2.45 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.459 1.768 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 97.03 -21.94 43.46 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . 0.422 ' CG ' ' HB1' ' A' ' 224' ' ' ALA . 1.8 mp0 -55.47 154.64 6.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 0.78 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.57 ' SD ' ' CE2' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -94.52 40.66 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.92 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.535 ' C ' ' O ' ' A' ' 228' ' ' MET . 0.1 OUTLIER 26.84 50.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 229' ' ' ARG . 0.0 OUTLIER 83.99 129.42 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.354 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . 0.487 ' CB ' HG22 ' A' ' 256' ' ' ILE . 18.5 Cg_endo -75.05 74.06 4.15 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 235' ' ' ASP . 18.9 ptt85 -86.63 151.48 23.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . 0.482 ' HA2' ' CZ2' ' A' ' 265' ' ' TRP . . . -35.06 -39.49 0.18 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 234' ' ' SER . . . . . 0.417 ' HB2' ' NH1' ' A' ' 232' ' ' ARG . 0.1 OUTLIER -64.74 -53.07 52.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.988 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 232' ' ' ARG . 0.5 OUTLIER -59.76 -48.02 83.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.466 HG12 ' CG2' ' A' ' 258' ' ' VAL . 44.7 mt -59.95 -17.32 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -78.74 -22.61 46.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 96.64 19.53 27.02 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.26 -38.24 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 11.2 m -106.68 -1.04 23.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 241' ' ' SER . . . . . 0.462 ' HB2' ' CG ' ' A' ' 228' ' ' MET . 32.7 t -144.27 148.8 35.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.463 HG21 ' CG ' ' A' ' 245' ' ' GLU . 1.9 t -90.81 -177.14 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.41 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.528 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 2.6 tm? -69.43 -58.78 3.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -47.81 -54.15 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . 0.463 ' CG ' HG21 ' A' ' 242' ' ' THR . 30.8 mt-10 -62.1 -31.43 71.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -65.06 -68.48 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.36 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.528 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 0.8 OUTLIER -41.14 -38.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -61.75 -45.44 96.24 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.57 ' CE2' ' SD ' ' A' ' 228' ' ' MET . 0.1 OUTLIER -58.85 -40.12 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 12.8 mtm -58.75 -31.49 68.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 31.6 m -118.01 22.45 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 255' ' ' PRO . 44.6 t-80 -82.29 171.27 14.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 9.4 t30 -121.22 111.29 33.79 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . 0.467 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.2 Cg_endo -75.07 158.95 98.61 Favored 'Cis proline' 0 C--N 1.361 1.221 0 C-N-CA 120.948 -2.521 . . . . 0.0 110.99 -0.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.483 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.94 119.66 5.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . 0.487 HG22 ' CB ' ' A' ' 231' ' ' PRO . 7.1 mt -93.61 134.44 26.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 256' ' ' ILE . 18.4 Cg_endo -75.01 55.61 4.01 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.466 ' CG2' HG12 ' A' ' 236' ' ' ILE . 2.0 t -59.09 -62.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 263' ' ' LYS . . . -61.21 -41.71 99.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . 0.539 ' HA ' ' CG ' ' A' ' 263' ' ' LYS . 2.5 tt0 -63.66 -31.72 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . 0.593 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 10.6 mt -71.67 -45.51 66.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . 0.502 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 0.9 OUTLIER -63.42 -54.25 39.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.539 ' CG ' ' HA ' ' A' ' 260' ' ' GLU . 0.0 OUTLIER -55.72 -31.37 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.417 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 2.9 mtt85 -66.81 -35.13 79.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.357 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.593 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 40.6 m0 -62.76 -45.4 92.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.572 HG22 ' CZ ' ' A' ' 172' ' ' PHE . 69.1 mt -57.19 -47.87 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.522 HD12 ' CD2' ' A' ' 172' ' ' PHE . 0.4 OUTLIER -60.42 -34.41 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -55.44 31.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.475 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -61.87 -61.33 6.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.542 ' CB ' ' CD1' ' A' ' 169' ' ' ILE . 12.0 mt -43.35 -32.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.54 -47.45 81.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.8 OUTLIER -69.27 -37.71 78.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . 0.406 HD11 ' CD1' ' A' ' 201' ' ' LEU . 94.4 mt -61.08 -45.05 99.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 74.6 t -69.37 -45.66 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -16.33 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 3.9 ttt -95.93 -37.84 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 164' ' ' PHE . 5.9 m-85 -96.32 16.33 18.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.53 150.27 79.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 59.22 5.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 6.3 m -155.5 107.24 2.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.441 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.17 78.44 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.044 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 1.7 pp -137.7 171.86 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.201 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 6.9 tp -162.21 154.45 19.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.393 1.058 . . . . 0.0 109.277 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -131.47 107.98 9.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.541 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -87.49 118.96 27.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -157.19 126.27 5.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 1.169 . . . . 0.0 109.602 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -166.29 163.94 17.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.558 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -129.47 172.34 11.64 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.536 1.147 . . . . 0.0 109.583 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.566 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.15 62.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.71 -56.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -120.84 100.16 6.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 m -142.37 -179.46 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.465 ' CG1' HG22 ' A' ' 34' ' ' ILE . 2.8 t -63.03 -49.0 85.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.621 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.3 mt -106.67 155.01 20.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -86.28 179.78 6.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.58 1.175 . . . . 0.0 109.985 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.26 -57.5 19.39 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.552 1.157 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.16 -40.56 24.15 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -39.85 83.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 0.803 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.475 HD12 ' CD1' ' A' ' 31' ' ' LEU . 6.9 tp -68.03 -41.77 81.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -31.83 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -77.74 -43.76 29.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.701 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 33.8 t-105 -56.76 -62.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -50.46 -32.69 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.368 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -46.49 75.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.455 ' CG1' HG23 ' A' ' 94' ' ' VAL . 3.3 mp -58.17 146.19 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.86 159.76 22.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.547 ' CD2' ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -113.98 -161.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.387 1.055 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.581 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -176.11 -58.89 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.581 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.96 123.22 7.75 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.46 4.56 38.82 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . -131.32 -85.89 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER 87.48 40.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 0.744 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -162.53 -143.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -115.06 173.84 6.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.701 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -91.13 145.6 24.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 111.1 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.92 173.36 11.62 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.475 ' CD1' HD12 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -62.64 -27.89 69.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -61.59 -46.1 91.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -62.8 -35.78 80.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.408 1.068 . . . . 0.0 109.568 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.465 HG22 ' CG1' ' A' ' 7' ' ' VAL . 3.5 mt -62.86 -49.78 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.13 -42.92 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -62.65 -41.17 98.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 108.012 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.27 -53.05 62.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 p -59.68 -36.84 77.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -60.89 -40.17 92.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.452 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 15.9 tm-20 -63.13 -34.32 77.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 9.2 mt -68.38 -31.55 71.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.53 -42.58 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -74.42 -19.82 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.413 ' CD2' ' OE2' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -79.75 -4.75 53.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 71.12 35.21 1.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 7.3 p -124.97 150.21 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -64.36 129.23 94.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.243 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -18.93 18.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.82 -11.29 57.53 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.046 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 29.5 mt -72.47 -32.31 66.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tp -72.71 -21.05 61.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.368 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -21.8 63.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.9 p -125.53 154.31 42.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.567 ' HA ' ' CE1' ' A' ' 89' ' ' HIS . 9.8 p -70.08 -28.95 65.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.95 -38.59 76.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.466 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -70.94 -43.18 58.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.419 1.074 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.9 p -66.73 -35.79 80.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -59.77 -38.33 81.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -68.67 -33.57 74.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 1.2 mp -71.47 -72.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.496 HD11 ' CD2' ' A' ' 79' ' ' TYR . 12.1 tp -41.89 -35.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.69 -48.85 81.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.425 1.078 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -96.2 22.01 8.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 110.335 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' A' ' 79' ' ' TYR . 16.3 tp -109.76 -25.61 10.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.603 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -53.99 -45.07 99.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.01 -40.39 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.569 1.826 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 71' ' ' GLY . 1.9 m -68.65 -11.8 60.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.4 mt -70.98 -43.87 67.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -74.36 -7.09 51.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.78 -5.46 10.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.384 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -80.69 -98.53 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.587 1.18 . . . . 0.0 111.013 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 16.3 p 167.84 -176.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.72 -40.95 96.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.34 -47.06 58.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.443 ' CD2' HD23 ' A' ' 68' ' ' LEU . 6.9 tt -60.9 -34.37 74.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.332 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.484 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 54.3 ttm-85 -61.34 -42.51 98.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -62.92 -30.56 71.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.476 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -65.61 -47.36 75.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.573 ' CD2' HD13 ' A' ' 68' ' ' LEU . 1.9 t80 -58.69 -43.42 89.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -58.35 -32.24 68.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -64.78 -48.12 75.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.421 HD12 ' CG2' ' A' ' 60' ' ' ILE . 5.4 mt -68.37 -37.64 78.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.563 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -55.23 -57.44 11.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.514 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.7 t -57.97 -41.05 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.57 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.74 -36.71 70.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -61.4 -51.5 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 0.5 OUTLIER -58.67 -34.45 71.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 108.263 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 t -64.53 -39.38 85.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' A' ' 54' ' ' SER . 29.7 m170 -56.79 -40.11 75.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.548 ' O ' ' HG2' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -96.43 11.89 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 44.95 42.54 6.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 110.386 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.525 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 3.1 mt -74.24 141.51 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.79 106.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.455 HG23 ' CG1' ' A' ' 19' ' ' ILE . 28.2 m -128.93 174.15 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.92 -49.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.67 170.75 13.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.514 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.4 m -60.05 -45.99 91.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.16 -31.64 63.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.29 -36.58 79.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.366 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -71.03 -39.27 72.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 2.4 mm? -56.44 -47.67 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -72.53 -41.78 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -62.71 -62.45 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.563 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.6 pt -56.39 -27.95 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -59.79 -54.09 50.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.338 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.64 -51.81 67.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.284 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.73 -52.01 58.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -55.03 -52.74 62.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -53.06 -43.83 67.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -55.77 30.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.0 t -49.98 -50.79 45.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.13 -54.14 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -53.84 31.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.53 -50.74 40.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.49 -54.6 34.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -49.99 -50.18 47.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -53.86 45.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.88 -49.41 65.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.358 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -50.85 -34.75 29.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.97 -31.68 45.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.376 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -86.23 9.76 16.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 39.0 p -128.24 -49.35 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -57.3 -51.36 58.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -41.02 105.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 174.82 167.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.07 170.56 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -176.26 165.38 2.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.4 176.34 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.2 p -170.7 170.47 6.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.946 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -174.67 170.06 3.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -172.21 167.84 5.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -169.18 93.46 0.55 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.15 4.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.559 1.82 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -169.28 145.67 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.7 p -172.38 148.26 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -156.35 171.44 20.23 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -179.19 139.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.9 pp -175.41 143.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -180.0 164.61 1.17 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.165 . . . . 0.0 110.289 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -170.86 150.03 13.37 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 178.89 171.84 0.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 0.751 . . . . 0.0 110.359 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 2.3 mtp 62.35 158.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 144' ' ' HIS . 74.5 t -59.61 138.2 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 247' ' ' ILE . 0.2 OUTLIER -78.82 142.54 36.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.156 . . . . 0.0 109.592 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.96 148.09 28.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.66 -178.73 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.474 ' CD1' HG22 ' A' ' 151' ' ' THR . 1.0 OUTLIER -87.89 143.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.89 160.67 52.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.29 13.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -65.08 -37.33 87.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.474 HG22 ' CD1' ' A' ' 147' ' ' ILE . 0.6 OUTLIER -69.6 -38.44 77.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.381 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.47 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 19.1 mt -57.59 -43.23 84.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -67.33 -30.85 70.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -68.95 -49.2 60.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.572 ' CD1' ' HG3' ' A' ' 187' ' ' MET . 35.5 t-105 -62.42 -46.84 86.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 108.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 53.8 t -46.68 -41.69 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -69.24 -33.65 73.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.226 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 155' ' ' TRP . 86.1 t -66.47 -45.03 90.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.485 HG11 ' CA ' ' A' ' 192' ' ' GLY . 37.9 t -67.26 -46.71 83.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -67.52 -18.69 65.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.01 -40.53 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -125.16 -58.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.375 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.591 ' HB1' ' CD1' ' A' ' 164' ' ' PHE . . . 85.28 -48.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.591 ' CD1' ' HB1' ' A' ' 163' ' ' ALA . 7.7 p90 -158.26 85.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.081 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.79 170.65 10.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.23 18.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -97.26 7.7 46.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.431 ' CG2' HG12 ' A' ' 158' ' ' VAL . 0.4 OUTLIER -111.51 -34.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 3.2 mt -55.99 -46.98 99.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.2 Cg_endo -74.98 -37.03 2.22 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.51 ' HG3' ' N ' ' A' ' 172' ' ' PHE . 0.1 OUTLIER -62.61 -30.15 71.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.51 ' N ' ' HG3' ' A' ' 171' ' ' MET . 3.5 t80 -69.17 -44.46 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.9 p -59.78 -36.61 77.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.85 92.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.363 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.456 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.2 -9.99 59.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 177' ' ' GLU . 3.2 t -108.5 14.27 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.064 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 176' ' ' SER . 0.2 OUTLIER -37.88 107.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.99 71.22 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.95 -177.72 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.572 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.6 OUTLIER -115.85 -172.92 0.23 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -41.34 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -70.21 -40.38 74.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.71 -49.44 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.7 -32.37 73.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . 0.478 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 3.3 m-20 -63.41 -32.62 74.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.447 HG23 ' CD2' ' A' ' 152' ' ' LEU . 0.6 OUTLIER -69.6 -45.43 68.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.453 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.572 ' HG3' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -66.87 -43.44 83.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.042 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.462 HD21 ' CE ' ' A' ' 198' ' ' MET . 10.9 mt -81.73 -4.99 57.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 1.9 m-20 -77.69 -49.87 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.491 ' O ' ' O ' ' A' ' 191' ' ' VAL . 6.8 t -79.89 -58.09 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.532 ' CG1' ' N ' ' A' ' 192' ' ' GLY . 0.3 OUTLIER 38.57 -161.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.532 ' N ' ' CG1' ' A' ' 191' ' ' VAL . . . 173.77 37.84 0.04 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.55 1.156 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -115.94 25.66 9.32 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.505 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 5.3 m170 87.51 145.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 0.787 . . . . 0.0 109.579 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.35 -37.15 77.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.04 76.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -58.92 -49.5 77.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.469 ' HE1' ' CG2' ' A' ' 191' ' ' VAL . 1.1 mmt -58.07 -36.79 73.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -62.62 -53.86 48.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 42.3 mtm -58.77 -29.5 66.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.475 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 10.7 tp -63.05 -43.0 99.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.364 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 12.7 tttt -68.51 -28.85 67.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.2 tt0 -67.09 -45.11 78.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -49.35 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 266' ' ' ILE . 18.4 mt -59.61 -55.4 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 57.6 t-20 -58.32 -36.25 73.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 1.7 tt0 -65.27 -29.74 70.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.398 1.062 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -31.3 69.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.482 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -69.1 -49.68 54.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.25 -48.08 74.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -66.77 -36.81 83.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . 0.565 ' CZ3' HD13 ' A' ' 215' ' ' LEU . 45.3 t-105 -59.09 -63.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 107.969 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -55.92 -33.01 64.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.384 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 14.4 ttt85 -61.82 -29.45 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . 0.565 HD13 ' CZ3' ' A' ' 212' ' ' TRP . 2.6 pp -106.61 -1.22 23.1 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . 0.49 ' CE1' ' CZ2' ' A' ' 212' ' ' TRP . 0.6 OUTLIER -111.81 96.6 33.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.575 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 66.08 6.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.429 1.752 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 35.8 m -71.29 84.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.33 118.01 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.61 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -164.49 167.65 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -59.78 -122.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.547 1.154 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 92.25 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . . . . . . . . . 1.1 pt -54.9 173.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 227' ' ' GLN . . . -54.31 163.55 1.25 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 107.55 2.51 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.44 1.758 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 94.11 -21.98 39.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . 0.448 ' HB2' ' CB ' ' A' ' 224' ' ' ALA . 1.5 tp60 -41.34 132.87 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.59 ' HG3' ' CZ2' ' A' ' 249' ' ' TRP . 10.8 mtm -84.27 45.1 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 228' ' ' MET . 6.6 ttt-85 32.71 49.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 229' ' ' ARG . 4.0 mm-40 48.87 99.43 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . 0.425 ' CB ' ' CB ' ' A' ' 235' ' ' ASP . 18.2 Cg_endo -75.03 129.1 12.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.85 -147.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . 0.579 ' HA2' ' CH2' ' A' ' 265' ' ' TRP . . . -71.71 -38.06 61.23 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.59 1.181 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 58.0 m -60.2 -45.6 92.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . 0.425 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.0 OUTLIER -74.55 -47.77 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.564 HG23 ' CZ3' ' A' ' 265' ' ' TRP . 89.3 mt -61.85 -14.13 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 233' ' ' GLY . . . -96.84 -0.82 47.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 1.075 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 71.47 19.72 77.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.413 1.071 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.45 -37.65 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.45 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 16.4 m -102.6 0.11 32.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 1.1 m -140.49 155.05 46.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.468 ' CG2' ' HG3' ' A' ' 244' ' ' GLN . 0.7 OUTLIER -79.26 176.49 9.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.546 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 3.2 tm? -62.64 -59.43 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 242' ' ' THR . 1.7 pt20 -58.47 -20.77 48.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -70.81 -48.92 51.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.284 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . 0.517 ' CD ' ' CG1' ' A' ' 258' ' ' VAL . 1.8 tt0 -69.57 -56.05 8.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.24 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.546 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 0.9 OUTLIER -51.1 -39.38 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.46 -51.57 57.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.59 ' CZ2' ' HG3' ' A' ' 228' ' ' MET . 0.7 OUTLIER -63.08 -32.63 74.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.0 mtm -57.59 -33.44 68.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 30.6 m -118.25 22.58 12.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.575 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 53.4 t60 -75.87 170.65 15.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.575 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 7.9 m-80 -120.04 111.26 35.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.386 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.2 Cg_endo -75.09 159.54 97.78 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.965 0.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.497 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.99 120.04 5.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 4.9 mt -97.79 131.89 25.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.438 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.3 Cg_endo -74.98 54.66 3.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.517 ' CG1' ' CD ' ' A' ' 246' ' ' GLN . 1.5 t -64.4 -59.09 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.227 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . 0.409 ' N ' HG13 ' A' ' 258' ' ' VAL . . . -60.92 -41.7 99.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -32.0 72.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . 0.734 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 4.2 mt -65.78 -38.66 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -63.79 -45.63 88.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -57.08 -34.93 68.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 14.9 mtt180 -68.64 -40.5 80.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.734 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 50.1 m0 -61.83 -44.18 97.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.029 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.482 ' HA ' ' CD1' ' A' ' 205' ' ' ILE . 77.7 mt -57.41 -45.57 85.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -31.04 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -53.61 52.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.475 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -61.78 -54.59 34.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.417 ' CB ' HG12 ' A' ' 169' ' ' ILE . 11.6 mt -48.03 -33.26 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . 0.462 ' HA ' ' CD1' ' A' ' 169' ' ' ILE . 46.5 t30 -63.29 -45.02 93.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -37.53 77.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . 0.464 HD12 ' CD1' ' A' ' 201' ' ' LEU . 85.7 mt -62.75 -43.8 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 75.6 t -72.28 -38.36 61.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -16.2 62.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -37.91 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 0.561 ' HB3' ' CD2' ' A' ' 164' ' ' PHE . 2.1 m-85 -101.54 15.29 29.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.37 114.15 35.38 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 155.25 43.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 15.7 m 62.53 79.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 40.7 t -156.37 155.88 32.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 5.5 pt -141.77 137.37 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 1.7 tt -173.71 157.6 3.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.84 157.41 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . 0.504 ' O ' ' CG ' ' A' ' 286' ' ' HIS . 0.0 OUTLIER -178.69 136.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.603 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 285' ' ' HIS . 40.6 m80 -160.21 174.77 13.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.653 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -156.8 174.75 15.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.573 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.04 154.11 50.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.636 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 9.2 p80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.545 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.403 ' N ' HG12 ' A' ' 35' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.26 66.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.81 170.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.214 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.87 -170.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m 76.85 94.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.452 HG11 ' CG2' ' A' ' 34' ' ' ILE . 24.6 t -150.75 -66.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.17 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.608 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.5 mt -105.31 147.02 28.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.5 179.36 7.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 109.997 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.06 -58.4 14.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.41 -40.4 33.2 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' OE1' ' CG1' ' A' ' 88' ' ' VAL . 4.1 mm-40 -61.07 -34.98 75.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.517 ' CB ' ' O ' ' A' ' 9' ' ' SER . 3.3 tp -69.74 -39.83 76.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -56.05 -32.31 63.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.47 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 1.2 mptt -73.94 -45.85 47.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.608 ' CB ' ' CD1' ' A' ' 8' ' ' LEU . 53.9 t-105 -58.53 -42.45 87.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.042 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' O ' ' CD ' ' A' ' 28' ' ' GLN . 2.3 mm-40 -74.17 -14.28 60.93 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -90.13 33.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.471 ' CG1' HG23 ' A' ' 94' ' ' VAL . 1.7 mp -142.55 140.41 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -103.27 153.03 20.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.596 ' N ' ' CD2' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -73.63 -139.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.515 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 172.28 -55.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.515 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.1 Cg_endo -75.07 124.45 8.59 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.526 1.803 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.89 1.53 55.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.07 85.78 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.6 ' O ' ' CB ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -105.65 -3.22 22.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 109.267 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.6 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 2.6 ttmt 96.48 -120.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.41 1.068 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' CG ' ' N ' ' A' ' 29' ' ' TYR . 26.7 tt0 -105.74 157.18 17.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -74.34 146.68 42.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.56 175.16 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.066 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.1 mm? -61.42 -29.23 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.535 ' HD2' ' CD2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -61.94 -40.04 94.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' CD2' ' HD2' ' A' ' 32' ' ' LYS . 59.5 m-70 -66.83 -35.99 81.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.605 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.452 ' CG2' HG11 ' A' ' 7' ' ' VAL . 6.4 mt -64.78 -49.94 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 2' ' ' GLY . 2.4 t -50.09 -43.32 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 108.031 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.35 -51.01 71.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.411 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 3.7 p -58.44 -35.08 71.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -41.04 95.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.435 ' CB ' ' HG ' ' A' ' 78' ' ' LEU . 33.5 mm-40 -63.5 -34.75 78.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 20.9 mt -63.96 -31.69 72.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -69.08 -42.31 76.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -64.31 -23.17 67.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.41 ' N ' ' HG2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -86.38 -10.96 53.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 73.76 45.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 8.5 p -125.01 149.92 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.6 135.69 96.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.358 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -18.74 18.35 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.598 1.841 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.44 -14.31 48.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.3 mt -74.82 -31.73 61.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD1' ' CD2' ' A' ' 85' ' ' LEU . 6.7 tp -78.07 -2.26 36.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -91.99 -22.11 20.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.8 154.86 41.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.363 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.4 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -70.09 -29.43 66.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.99 -49.48 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.456 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -64.19 -41.63 98.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.57 1.169 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.87 -35.94 82.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -59.9 -40.16 87.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.17 -30.78 68.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.471 ' CG2' HD11 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -72.93 -73.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.069 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.55 HD11 ' CE1' ' A' ' 79' ' ' TYR . 11.6 tp -43.62 -35.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.39 -49.05 77.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.86 19.99 8.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.338 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 79' ' ' TYR . 19.8 tp -109.37 -24.86 10.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.602 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -53.76 -45.04 98.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.229 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.87 -40.61 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -68.33 -11.83 60.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.566 1.166 . . . . 0.0 109.968 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.586 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.2 mt -70.78 -44.16 67.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.2 -7.32 52.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.455 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.34 -5.91 10.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -80.7 -97.98 0.36 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.591 1.182 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 23.3 p 167.56 -176.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 0.759 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -61.38 -40.71 95.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -47.07 59.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.449 ' CD2' HD23 ' A' ' 68' ' ' LEU . 8.0 tt -60.77 -34.51 74.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 6.4 tpt180 -61.08 -44.66 97.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -60.82 -30.75 70.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.452 ' CD1' HD21 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -66.07 -47.35 74.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.586 ' CD2' HD13 ' A' ' 68' ' ' LEU . 1.3 t80 -58.16 -41.62 84.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -60.5 -35.22 75.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.0 m -62.41 -45.53 92.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.431 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.471 HD11 ' CG2' ' A' ' 60' ' ' ILE . 9.3 mt -72.02 -34.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.55 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -55.83 -60.07 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.51 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.5 t -58.59 -39.68 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.574 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.64 -39.88 74.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.42 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 44.9 t80 -59.92 -53.12 61.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -36.19 72.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.356 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.462 ' CG1' ' OE1' ' A' ' 12' ' ' GLU . 4.4 t -62.04 -41.24 90.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.24 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.4 ' ND1' ' HA ' ' A' ' 54' ' ' SER . 31.3 m170 -55.91 -40.21 72.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.578 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.465 ' CB ' HD12 ' A' ' 92' ' ' ILE . 0.6 OUTLIER -85.72 -20.09 29.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 78.98 41.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.465 HD12 ' CB ' ' A' ' 90' ' ' GLN . 1.3 mp -75.93 141.08 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -70.57 97.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.471 HG23 ' CG1' ' A' ' 19' ' ' ILE . 29.8 m -118.32 173.61 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.13 -45.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -132.82 170.92 14.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.51 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.2 m -60.16 -44.9 94.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' N ' ' OD2' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -55.26 -32.05 62.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -41.33 80.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.472 ' CB ' HG23 ' A' ' 84' ' ' VAL . . . -67.93 -37.86 82.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 0.8 OUTLIER -56.55 -46.2 80.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.68 -42.53 64.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -62.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.55 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 1.6 pt -56.04 -28.07 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -59.04 -54.07 51.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.251 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.46 -51.5 69.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.357 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -52.13 -51.11 59.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -55.41 -52.93 61.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.09 -43.74 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -55.04 40.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.43 -51.59 45.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.02 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -53.83 -56.2 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -46.24 -45.53 17.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.14 -43.67 97.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.92 -62.1 1.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 117' ' ' GLN . 19.8 pt20 -52.76 -43.54 65.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 4.5 tm0? -54.41 -55.65 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.232 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.4 -58.9 6.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.37 -47.66 2.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.39 -61.09 2.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.55 -66.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 72.7 p -49.23 -49.09 44.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -91.56 -145.13 14.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -143.85 84.94 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 50.08 91.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.9 t -178.16 156.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.3 128.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.2 p -174.52 149.14 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.7 p 179.26 136.63 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.588 1.18 . . . . 0.0 109.96 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -177.91 139.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 179.41 157.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.486 ' CG ' ' HD2' ' A' ' 133' ' ' PRO . 0.4 OUTLIER -170.08 155.9 5.58 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.486 ' HD2' ' CG ' ' A' ' 132' ' ' TYR . 18.3 Cg_endo -75.02 173.49 14.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 13.2 tt -172.78 116.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 72.9 t 64.17 125.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -179.06 72.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.6 m120 56.06 166.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.418 HD11 ' N ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -175.4 143.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.08 171.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.255 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 151.63 137.42 2.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.589 1.18 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -173.0 123.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 0.713 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.7 ttt -178.15 84.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.7 p -172.72 151.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 247' ' ' ILE . 6.0 t60 -97.94 142.62 29.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -81.9 148.28 28.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 110.293 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.35 -176.36 2.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.473 ' CD1' HG23 ' A' ' 151' ' ' THR . 1.3 tt -84.01 143.05 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.1 160.76 51.36 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.053 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.28 14.03 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.504 1.792 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -65.64 -37.4 86.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.473 HG23 ' CD1' ' A' ' 147' ' ' ILE . 0.6 OUTLIER -66.1 -40.83 91.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.489 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 19.2 mt -58.76 -40.58 84.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.11 -41.86 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.01 79.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 109.337 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.556 ' CH2' ' HB2' ' A' ' 172' ' ' PHE . 40.5 t-105 -62.01 -46.49 88.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 40.3 t -45.25 -43.14 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -66.06 -37.84 86.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 155' ' ' TRP . 67.9 t -63.35 -44.53 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 192' ' ' GLY . 90.1 t -56.32 -46.6 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.86 -24.65 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.246 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.99 -52.8 10.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.521 ' O ' ' CG2' ' A' ' 168' ' ' VAL . 5.5 mttt -173.06 66.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.331 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' A' ' 162' ' ' LYS . . . -33.29 -45.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.506 ' CD1' ' CE2' ' A' ' 277' ' ' TYR . 1.3 p90 -117.95 126.41 52.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.492 ' HB2' ' HD2' ' A' ' 166' ' ' PRO . 4.0 p 178.69 170.35 0.51 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.945 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.2 Cg_endo -74.98 -36.11 2.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -88.92 9.28 25.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 162' ' ' LYS . 2.2 t -105.78 -34.28 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 0.0 OUTLIER -54.95 -45.43 99.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.08 -34.21 3.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -51.05 69.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.556 ' HB2' ' CH2' ' A' ' 155' ' ' TRP . 13.3 t80 -61.55 -44.22 97.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 11.1 p -58.54 -33.21 69.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.003 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.59 92.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.451 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -75.99 -10.17 59.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' SER . . . . . 0.437 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 3.0 t -106.97 14.26 26.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 176' ' ' SER . 4.3 mt-10 -37.62 109.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.313 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.6 66.85 0.52 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.85 -176.05 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.537 ' HB ' ' HD2' ' A' ' 181' ' ' PRO . 1.7 p -108.55 -176.55 0.41 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.55 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.4 Cg_endo -74.96 -42.44 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.457 1.767 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -49.55 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.257 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . 0.443 ' OD2' ' CG1' ' A' ' 147' ' ' ILE . 0.0 OUTLIER -58.5 -49.11 78.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.437 ' CD2' ' HB2' ' A' ' 176' ' ' SER . 40.3 mt -61.91 -43.2 99.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -57.17 -35.33 69.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.476 HG21 ' CD2' ' A' ' 152' ' ' LEU . 0.8 OUTLIER -62.43 -44.33 96.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.597 1.186 . . . . 0.0 110.357 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.527 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.3 OUTLIER -69.7 -45.5 68.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.04 -28.91 70.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.02 -39.94 78.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.4 t -84.31 -2.56 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.471 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.7 OUTLIER -52.18 -176.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . 0.424 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -169.89 55.55 0.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.095 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -115.02 32.61 5.71 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.405 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 4.2 t-160 81.35 133.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 0.0 109.572 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.72 -37.96 74.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 110.368 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.48 75.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.9 76.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.471 ' CE ' HG11 ' A' ' 191' ' ' VAL . 1.0 OUTLIER -57.93 -33.43 68.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -69.06 -54.46 14.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.3 mtp -59.86 -29.68 68.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.489 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 16.2 tp -65.18 -42.6 93.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -63.46 -29.52 70.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 3.8 tt0 -66.91 -46.45 74.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.203 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.71 -49.04 51.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.349 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.482 HD11 ' CG1' ' A' ' 266' ' ' ILE . 16.2 mt -58.24 -55.48 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.585 1.178 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -57.88 -38.02 75.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 19.4 mt-10 -66.16 -29.73 70.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . 0.538 ' HG2' ' CD1' ' A' ' 265' ' ' TRP . 0.4 OUTLIER -64.53 -44.81 89.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.428 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -61.54 -50.01 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.51 -48.0 75.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.85 -39.01 90.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . 0.566 ' CE3' HD12 ' A' ' 215' ' ' LEU . 44.4 t-105 -60.16 -59.63 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 108.017 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -56.17 -33.36 65.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -61.79 -32.67 72.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . 0.566 HD12 ' CE3' ' A' ' 212' ' ' TRP . 2.6 pp -101.26 0.04 36.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . 0.409 ' CE1' ' CZ2' ' A' ' 212' ' ' TRP . 0.1 OUTLIER -111.53 97.31 36.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.537 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 82.56 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.532 1.806 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 10.7 p -114.98 97.65 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -131.1 112.86 13.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -151.3 174.06 13.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -92.47 -142.47 11.29 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.439 1.087 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.66 5.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.427 1.751 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.469 HG23 ' CD ' ' A' ' 229' ' ' ARG . 1.1 pt -92.93 -178.84 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . . . . . . . . . . . -52.72 156.16 3.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.586 1.179 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 107.53 2.51 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 99.11 -21.85 43.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.62 137.59 24.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 0.808 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.579 ' HB3' ' CZ2' ' A' ' 249' ' ' TRP . 31.3 ttp -116.58 68.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.469 ' CD ' HG23 ' A' ' 223' ' ' ILE . 13.7 ptt-85 -59.9 -179.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 229' ' ' ARG . 0.2 OUTLIER -35.79 96.93 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 229' ' ' ARG . 18.5 Cg_endo -74.97 143.71 29.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -85.92 177.57 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . 0.437 ' HA2' ' CD1' ' A' ' 236' ' ' ILE . . . -52.77 -38.55 53.79 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 6.5 m -61.41 -40.11 93.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.034 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . 0.448 ' O ' ' NE2' ' A' ' 246' ' ' GLN . 1.4 m-20 -65.73 -36.55 83.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.461 ' CG1' ' CG2' ' A' ' 258' ' ' VAL . 4.0 mt -60.42 -30.01 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.48 -22.98 61.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 90.62 23.49 30.82 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.23 -38.23 15.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 15.4 m -105.83 -0.8 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.432 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 5.8 t -138.8 136.81 36.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.6 OUTLIER -73.23 172.52 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.365 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.471 HD13 ' CG1' ' A' ' 247' ' ' ILE . 3.0 tm? -65.64 -59.15 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -49.29 -24.92 2.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 110.35 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . 0.431 ' CB ' ' HE1' ' A' ' 228' ' ' MET . 3.9 mt-10 -70.46 -49.4 48.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.067 . . . . 0.0 110.278 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 235' ' ' ASP . 55.0 mt-30 -69.91 -37.6 76.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.471 ' CG1' HD13 ' A' ' 243' ' ' LEU . 33.3 mm -52.54 -57.3 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.73 -45.48 96.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.579 ' CZ2' ' HB3' ' A' ' 228' ' ' MET . 0.4 OUTLIER -56.21 -31.47 63.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.98 -41.05 87.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 30.3 m -106.91 22.11 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.36 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 255' ' ' PRO . 81.9 t60 -86.28 170.2 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.554 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.456 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 40.3 m-80 -121.22 111.52 33.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 159.34 98.14 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.032 -0.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.11 121.69 6.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.407 1.74 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . 0.508 HD11 ' CD1' ' A' ' 249' ' ' TRP . 4.6 mt -95.71 111.36 55.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 54.66 3.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.604 1.844 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.461 ' CG2' ' CG1' ' A' ' 236' ' ' ILE . 0.3 OUTLIER -58.19 -41.66 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -62.23 -42.71 99.72 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.34 -32.36 73.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . 0.556 HG21 ' CZ2' ' A' ' 265' ' ' TRP . 8.2 mt -63.61 -45.72 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 8.5 t80 -71.42 -39.75 70.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -44.9 89.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -32.07 73.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.556 ' CZ2' HG21 ' A' ' 261' ' ' ILE . 50.8 m0 -61.96 -47.76 83.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 107.962 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.482 ' CG1' HD11 ' A' ' 205' ' ' ILE . 54.4 mt -57.52 -48.24 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.429 ' CG1' HG21 ' A' ' 169' ' ' ILE . 0.8 OUTLIER -60.15 -35.48 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -54.26 49.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.508 ' O ' ' N ' ' A' ' 272' ' ' LYS . . . -62.65 -60.51 7.67 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.509 1.131 . . . . 0.0 111.049 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 274' ' ' VAL . 11.8 mt -42.04 -31.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -69.25 -47.03 65.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.37 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 269' ' ' GLY . 21.1 mttt -65.02 -36.58 84.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 15.4 mt -72.52 -33.35 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 270' ' ' LEU . 19.0 t -68.95 -47.4 75.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . 0.446 ' CD ' ' HA ' ' A' ' 272' ' ' LYS . 8.6 ptt85 -73.04 -16.01 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -35.17 16.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 0.515 ' CG ' ' O ' ' A' ' 277' ' ' TYR . 6.4 t80 -94.49 1.87 55.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 3.8 p -81.16 114.28 47.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.958 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 124.95 9.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 8.5 t -172.65 60.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 8.4 t -167.48 145.03 4.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 2.0 tt -61.65 175.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 2.1 tt -160.52 155.0 23.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -128.78 123.84 33.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.543 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . 0.416 ' CD2' ' H ' ' A' ' 286' ' ' HIS . 9.1 t-80 -172.0 173.14 4.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.624 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . 0.416 ' H ' ' CD2' ' A' ' 285' ' ' HIS . 0.2 OUTLIER -136.56 174.79 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.626 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -97.92 172.71 7.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.538 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -148.3 168.22 23.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.15 . . . . 0.0 109.626 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.626 179.883 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -177.15 80.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.62 140.42 17.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.22 176.93 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m 69.25 93.35 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.036 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.455 ' CG1' HG23 ' A' ' 34' ' ' ILE . 3.0 t -154.25 -64.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.624 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.8 mt -101.76 150.71 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -86.27 179.68 6.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.7 -57.47 19.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.07 27.86 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -38.89 81.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 0.726 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' SER . 8.7 tp -67.35 -41.61 84.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.82 -31.78 62.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -44.14 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.695 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 45.0 t-105 -56.58 -62.41 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 3.5 mt-10 -51.77 -30.02 21.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -50.12 75.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.1 mp -47.7 133.13 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 1.3 mpt_? -98.65 168.3 10.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.541 HD22 ' CG ' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -151.82 -166.18 2.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.609 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -167.16 -60.19 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.609 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.1 Cg_endo -75.07 122.56 7.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.68 9.98 28.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.388 1.055 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.75 -179.17 16.9 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 27' ' ' LYS . 21.0 mmtt -112.47 25.08 11.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER 87.09 -7.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 32.8 tt0 -157.78 162.37 38.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.695 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -98.53 149.21 22.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -143.3 171.93 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.472 ' CD1' HD12 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -62.51 -27.18 68.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -46.11 90.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -63.02 -35.79 81.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.54 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.468 HG13 ' NE1' ' A' ' 16' ' ' TRP . 3.7 mt -63.12 -50.07 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.49 -42.27 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -62.32 -40.27 95.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 108.024 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.18 66.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.4 p -57.81 -35.15 70.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -60.97 -40.09 92.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 3.3 mm-40 -63.63 -34.44 77.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.454 ' CD2' HG12 ' A' ' 60' ' ' ILE . 18.8 mt -70.44 -31.94 69.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -71.34 -42.87 67.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -76.57 -16.73 59.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.224 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -82.41 -6.6 59.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 74.36 34.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.406 ' CG1' ' O ' ' A' ' 41' ' ' LEU . 9.2 p -124.96 149.78 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -64.74 133.91 95.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -19.04 18.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.03 -13.49 48.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.418 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 20.2 mt -76.16 -23.48 54.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 0.721 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.52 ' CD1' ' CD2' ' A' ' 85' ' ' LEU . 6.9 tp -85.47 -2.27 57.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -90.45 -22.24 21.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -126.0 158.44 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.445 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 p -70.13 -31.43 68.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -63.56 -47.3 82.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.456 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -64.44 -40.45 97.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.22 -37.9 89.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -43.25 95.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.67 -34.81 77.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.459 ' CG2' HD13 ' A' ' 82' ' ' ILE . 1.2 mp -73.27 -74.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.503 HD11 ' CD2' ' A' ' 79' ' ' TYR . 11.8 tp -41.69 -37.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.44 -48.73 84.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' ILE . 10.3 mt-30 -96.3 21.95 8.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 0.72 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.511 HD22 ' CD2' ' A' ' 79' ' ' TYR . 16.6 tp -108.9 -26.04 10.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.607 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.6 tm0? -53.56 -45.14 98.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.06 -40.1 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 71' ' ' GLY . 15.8 m -68.67 -12.33 61.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.8 mt -70.74 -43.68 68.36 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -74.63 -6.92 51.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.464 1.103 . . . . 0.0 110.364 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.451 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.93 -5.05 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.74 -99.46 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.56 1.163 . . . . 0.0 111.068 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.0 p 168.98 -176.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.994 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -61.24 -41.2 96.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.43 -46.94 58.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.41 -34.11 73.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.494 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 2.8 tpt180 -61.76 -42.62 99.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 13.9 t -62.05 -30.96 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -47.03 78.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.585 ' CD2' HD13 ' A' ' 68' ' ' LEU . 2.0 t80 -59.21 -42.24 90.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.455 ' HB2' ' CG2' ' A' ' 97' ' ' THR . 0.0 OUTLIER -60.13 -29.12 68.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.3 m -68.59 -48.0 65.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.142 . . . . 0.0 110.396 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.459 HD13 ' CG2' ' A' ' 60' ' ' ILE . 6.5 mt -68.48 -35.85 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.494 ' CB ' HD12 ' A' ' 104' ' ' ILE . . . -56.31 -58.87 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.504 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.6 t -58.52 -41.38 81.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.576 HD13 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.6 -38.91 72.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.457 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 34.7 t80 -61.96 -42.48 99.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 91' ' ' ARG . 1.0 OUTLIER -68.18 -39.02 82.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.1 t -62.11 -42.75 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.502 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 7.7 m-70 -56.09 -40.04 73.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.451 ' HB2' ' CD1' ' A' ' 92' ' ' ILE . 2.4 mm-40 -87.16 -19.55 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.1 OUTLIER 79.67 40.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.461 ' CG2' ' HG2' ' A' ' 103' ' ' LYS . 1.7 mp -75.96 141.03 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.418 ' N ' HG22 ' A' ' 92' ' ' ILE . 18.6 t70 -65.82 101.35 0.64 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.88 154.8 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.12 23.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 178.78 157.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.504 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.8 m -60.43 -34.87 74.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -31.4 70.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -42.78 96.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -70.24 -39.74 74.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -46.79 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -73.9 -41.72 61.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.461 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.54 -63.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.494 HD12 ' CB ' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -54.76 -27.67 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -54.08 49.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -61.2 -46.71 89.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.91 -51.02 59.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -55.13 -54.74 39.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.94 -38.47 61.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.398 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -66.21 -43.34 86.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -64.59 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 113' ' ' LYS . 2.1 ptmm? -41.7 -38.88 1.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -56.71 -59.36 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -48.69 31.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.4 -54.72 32.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.7 -52.56 47.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.14 -50.95 60.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.01 -51.74 60.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.95 -53.19 53.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.54 -47.68 14.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.84 -57.1 13.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 69.2 p -67.41 104.12 1.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -151.75 133.24 4.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.435 1.084 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -155.63 167.78 29.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.583 0.814 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -179.37 164.99 1.39 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.2 p -169.78 170.5 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.948 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -146.35 171.4 15.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -131.91 176.32 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.25 170.54 17.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -146.34 171.46 14.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -141.68 167.79 21.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -154.56 93.44 2.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 179.24 6.29 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.429 1.752 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.7 tt -129.12 174.06 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.4 m -144.72 176.32 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.153 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -141.19 171.06 14.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.364 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -162.67 167.82 22.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.0 mp -145.79 176.77 9.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -161.72 170.77 19.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -62.24 -159.46 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -153.05 59.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.0 110.217 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.4 mpp? 56.28 168.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 12.4 p -167.78 64.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.38 1.05 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.474 ' CB ' HG13 ' A' ' 247' ' ' ILE . 54.3 p-80 -66.56 102.73 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.639 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -111.71 104.1 12.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.51 166.35 23.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.46 HD12 ' CG2' ' A' ' 151' ' ' THR . 0.7 OUTLIER -82.32 141.85 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.49 162.26 45.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -24.43 12.74 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -41.13 93.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.46 ' CG2' HD12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -72.17 -35.65 69.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.416 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.514 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 29.4 mt -66.51 -32.92 74.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.71 -47.53 62.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.52 76.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.602 ' CZ2' ' O ' ' A' ' 187' ' ' MET . 1.8 t90 -61.96 -49.03 77.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 3.5 t -45.14 -44.16 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -35.05 76.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.596 1.185 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 155' ' ' TRP . 98.2 t -71.09 -45.7 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.472 HG22 ' CE2' ' A' ' 155' ' ' TRP . 2.6 t -55.12 -33.68 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -78.44 -39.22 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -85.63 12.22 9.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -154.26 -77.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.87 -48.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.528 ' CE1' HG23 ' A' ' 273' ' ' ILE . 4.0 m-85 -165.88 76.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.23 170.61 9.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -19.22 18.28 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.17 -1.57 56.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.583 1.177 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.08 -34.21 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 3.3 mt -53.55 -47.72 95.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.97 -35.88 2.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.586 1.835 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -34.35 76.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.599 ' CD2' ' SD ' ' A' ' 187' ' ' MET . 1.2 t80 -66.81 -43.18 84.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' SER . . . . . 0.463 ' HB2' ' CE ' ' A' ' 263' ' ' LYS . 9.9 p -58.31 -39.99 80.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.42 93.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.83 -10.61 59.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' SER . . . . . 0.408 ' OG ' ' CD2' ' A' ' 184' ' ' LEU . 3.2 t -106.63 14.07 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 178' ' ' GLY . 41.3 tt0 -40.09 105.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.17 67.69 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.467 ' CB ' ' OD2' ' A' ' 183' ' ' ASP . . . -103.91 -175.46 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.536 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 1.0 OUTLIER -112.12 -175.23 0.31 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 110.407 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.05 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -34.33 72.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . 0.467 ' OD2' ' CB ' ' A' ' 179' ' ' ALA . 4.0 t0 -77.63 -49.91 13.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.408 ' CD2' ' OG ' ' A' ' 176' ' ' SER . 35.7 mt -64.12 -32.44 74.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 181' ' ' PRO . 4.3 t-20 -65.6 -38.79 90.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.469 HG22 ' CD1' ' A' ' 152' ' ' LEU . 0.3 OUTLIER -60.55 -42.71 97.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.602 ' O ' ' CZ2' ' A' ' 155' ' ' TRP . 7.2 ttm -67.81 -46.38 72.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.459 HD22 ' CE ' ' A' ' 198' ' ' MET . 9.7 mt -81.69 7.5 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 5.0 t30 -100.58 -49.5 4.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 191' ' ' VAL . 3.3 t -98.64 10.76 40.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.373 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.492 ' HA ' ' CZ2' ' A' ' 155' ' ' TRP . 1.3 p -51.11 -175.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -162.17 83.78 0.12 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . 0.51 ' HA3' ' CE2' ' A' ' 164' ' ' PHE . . . -134.03 -62.13 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 0.2 OUTLIER 169.31 133.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.557 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -57.44 -42.48 82.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.95 -48.99 77.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . 0.506 ' CB ' ' CE2' ' A' ' 164' ' ' PHE . . . -59.94 -49.17 78.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.474 ' CE ' HG13 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.93 -33.55 68.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -48.97 79.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -41.58 96.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.466 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 16.0 tp -57.95 -42.75 85.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 7.0 tttp -68.07 -29.65 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 3.8 tt0 -67.27 -45.03 77.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.06 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.5 -49.01 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 266' ' ' ILE . 16.7 mt -59.45 -55.66 22.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.241 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 23.3 t-20 -58.64 -34.66 71.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 3.5 tt0 -65.7 -31.58 72.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.53 -36.94 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.517 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -73.73 -48.62 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.2 -47.67 74.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.31 -33.81 74.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . 0.57 ' CZ3' HD11 ' A' ' 215' ' ' LEU . 0.0 OUTLIER -57.3 -64.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.13 -33.07 70.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -58.9 -33.62 70.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.258 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . 0.57 HD11 ' CZ3' ' A' ' 212' ' ' TRP . 1.9 pp -106.59 -4.51 19.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . 0.557 ' CD2' ' CZ ' ' A' ' 232' ' ' ARG . 7.8 t-80 -111.04 119.14 46.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.627 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 56.27 4.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.562 1.822 . . . . 0.0 111.053 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 0.405 HG21 ' ND1' ' A' ' 216' ' ' HIS . 58.6 t -78.94 137.53 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -174.97 59.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.639 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -95.22 173.82 7.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -96.04 -142.93 13.64 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.402 HD11 ' N ' ' A' ' 229' ' ' ARG . 6.2 tp -46.54 146.57 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . 0.439 ' CB ' ' HB2' ' A' ' 227' ' ' GLN . . . -57.53 157.9 12.55 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 104.81 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.454 1.765 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 101.73 -19.18 51.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . 0.439 ' HB2' ' CB ' ' A' ' 224' ' ' ALA . 9.4 mm-40 -92.2 159.01 15.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.615 0.833 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.609 ' SD ' ' CD1' ' A' ' 249' ' ' TRP . 8.6 ttm -128.52 151.02 49.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.417 ' NH2' HG22 ' A' ' 240' ' ' THR . 6.4 ptt-85 -96.29 -179.09 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 229' ' ' ARG . 28.0 mt-10 -37.47 148.38 0.21 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . 0.474 ' O ' ' CZ ' ' A' ' 232' ' ' ARG . 18.2 Cg_endo -75.01 107.05 2.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.442 1.759 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . 0.557 ' CZ ' ' CD2' ' A' ' 216' ' ' HIS . 0.0 OUTLIER -117.28 146.37 43.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . 0.517 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -36.97 -38.25 0.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 2.5 p -60.28 -51.77 68.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 109.918 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 241' ' ' SER . 1.9 t70 -65.6 -37.35 86.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.07 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.478 HG12 ' CG2' ' A' ' 258' ' ' VAL . 26.2 mt -60.29 -26.62 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -85.73 -15.88 40.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 68.84 32.32 73.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.25 -38.28 13.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 240' ' ' THR . . . . . 0.417 HG22 ' NH2' ' A' ' 229' ' ' ARG . 5.0 t -109.54 -2.32 17.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 241' ' ' SER . . . . . 0.472 ' CB ' ' OD1' ' A' ' 235' ' ' ASP . 1.9 t -126.41 145.9 50.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.966 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.462 HG21 ' N ' ' A' ' 243' ' ' LEU . 0.4 OUTLIER -81.77 160.27 23.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.466 ' CD1' ' CG1' ' A' ' 247' ' ' ILE . 2.9 tm? -55.88 -61.11 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -44.5 -27.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . 0.463 ' CG ' ' HE2' ' A' ' 228' ' ' MET . 0.5 OUTLIER -69.69 -49.66 51.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -67.34 -42.65 83.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.477 ' CD1' HG21 ' A' ' 180' ' ' THR . 45.0 mm -48.0 -56.86 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -59.72 -41.18 97.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.609 ' CD1' ' SD ' ' A' ' 228' ' ' MET . 0.1 OUTLIER -58.74 -31.61 68.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.4 tpp -68.14 -39.17 82.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.8 p -108.36 22.4 15.98 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 82.0 t60 -85.27 169.5 13.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.647 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.502 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 9.3 t-20 -120.35 111.41 35.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . 0.502 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.98 159.83 97.44 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.011 -0.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.481 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.5 Cg_endo -75.04 119.88 5.83 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . 0.429 HD12 ' CD1' ' A' ' 249' ' ' TRP . 6.8 mt -91.56 114.2 61.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 56.34 4.26 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.478 ' CG2' HG12 ' A' ' 236' ' ' ILE . 0.4 OUTLIER -54.98 -43.66 70.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -60.51 -41.33 98.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.58 -38.85 77.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . 0.473 ' O ' ' CD1' ' A' ' 265' ' ' TRP . 18.8 mt -64.22 -46.09 94.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.162 . . . . 0.0 109.352 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -47.28 73.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.463 ' CE ' ' HB2' ' A' ' 173' ' ' SER . 0.8 OUTLIER -56.7 -45.92 81.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -61.16 -40.0 92.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 261' ' ' ILE . 40.5 m0 -62.14 -47.44 84.57 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . 0.478 ' HA ' ' CD1' ' A' ' 205' ' ' ILE . 94.3 mt -57.62 -46.67 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -32.57 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -56.53 21.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -61.98 -56.94 19.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.43 ' CD1' HG23 ' A' ' 266' ' ' ILE . 12.5 mt -46.33 -33.27 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 0.797 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 169' ' ' ILE . 1.3 m-20 -63.74 -45.74 88.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -68.9 -37.46 79.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.229 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . 0.528 HG23 ' CE1' ' A' ' 164' ' ' PHE . 47.6 mt -59.72 -46.22 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 77.0 t -69.07 -45.99 79.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -58.28 -16.33 13.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 4.5 tpt -95.62 -37.89 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 0.535 ' CG ' ' O ' ' A' ' 277' ' ' TYR . 15.6 t80 -95.44 18.19 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.0 150.19 92.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 280' ' ' THR . 18.3 Cg_endo -75.03 -179.14 4.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 280' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 279' ' ' PRO . 77.4 p -38.72 104.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.37 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.62 90.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.95 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -171.44 124.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.18 81.03 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.336 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -150.53 162.79 39.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.58 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.74 172.5 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.561 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -142.43 174.83 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.601 1.188 . . . . 0.0 109.617 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -146.81 165.41 29.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.615 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -160.83 172.51 16.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.54 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.627 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.18 100.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 0.0 109.355 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.36 155.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 64.24 161.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p 178.43 98.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.962 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 34' ' ' ILE . 30.3 t -153.19 -62.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.614 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.2 mt -102.48 155.46 18.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.04 179.75 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.88 -57.67 18.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.35 -40.55 23.4 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.04 -39.38 81.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.783 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.484 ' CB ' ' O ' ' A' ' 9' ' ' SER . 5.7 tp -69.77 -36.05 75.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.29 -33.15 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' O ' HG12 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -76.29 -45.46 32.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.699 ' CH2' ' CD2' ' A' ' 29' ' ' TYR . 17.9 t-105 -56.59 -50.65 71.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 107.995 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.01 -21.76 66.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -2.41 28.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.507 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.6 mm -84.71 145.34 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -105.43 151.56 24.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.406 HD23 ' CG ' ' A' ' 29' ' ' TYR . 13.6 mt -101.89 -162.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -78.78 170.17 17.38 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 129.7 12.53 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.19 -0.9 60.44 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.28 -163.73 21.89 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -34.45 66.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 0.773 . . . . 0.0 109.363 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 80.19 -2.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -155.04 149.21 25.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.699 ' CD2' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -91.43 152.56 20.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.938 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HG2' ' CD2' ' A' ' 33' ' ' HIS . 0.6 OUTLIER -140.71 174.59 10.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.478 ' CD1' HD12 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.67 -27.84 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -45.59 93.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 10.9 m170 -63.73 -35.95 82.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.621 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.463 HG22 ' CG1' ' A' ' 7' ' ' VAL . 4.3 mt -63.27 -50.34 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -51.76 -41.94 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.1 . . . . 0.0 109.27 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -62.17 -42.61 99.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 0.0 108.019 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HB3' ' CG2' ' A' ' 81' ' ' THR . . . -59.19 -53.13 61.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -35.32 74.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -41.19 95.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.49 -35.04 79.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 95.5 mt -67.79 -41.53 83.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.83 -35.41 68.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -75.73 -25.58 56.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 31.0 t80 -75.95 -6.07 49.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . 77.69 30.98 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 1.3 p -123.77 150.3 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -63.72 131.13 94.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -18.79 18.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.45 -10.17 56.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.8 mt -75.52 -26.3 57.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.747 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 tp -78.82 -10.14 59.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -83.25 -22.03 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.2 p -125.87 153.55 43.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.52 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -69.99 -29.03 66.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -49.94 67.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.75 -38.61 76.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.576 1.172 . . . . 0.0 110.977 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 46.8 t -64.06 -39.69 94.63 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -59.9 -39.58 85.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -62.89 -43.43 98.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 61' ' ' LEU . 1.2 mp -68.85 -70.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.478 HD13 ' CD2' ' A' ' 79' ' ' TYR . 12.8 tp -42.41 -37.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.92 -48.92 83.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.62 1.2 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -93.51 19.08 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 0.808 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tp -108.45 -23.35 11.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.608 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 tm0? -54.6 -44.87 99.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.02 -39.88 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -67.34 -11.87 58.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.587 HD13 ' CD2' ' A' ' 79' ' ' TYR . 6.6 mt -70.66 -45.01 65.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.84 -7.18 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.457 ' CG2' ' HA ' ' A' ' 67' ' ' SER . 2.2 t -119.49 -6.01 10.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 67' ' ' SER . . . -81.34 -98.79 0.39 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 30.9 p 165.49 -176.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -58.57 -41.09 84.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -47.11 55.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.335 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.4 tt -58.77 -34.59 71.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.48 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 2.2 mmm180 -62.5 -46.08 90.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.0 t -56.22 -34.09 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.95 -47.37 83.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD2' HD13 ' A' ' 68' ' ' LEU . 2.4 t80 -61.81 -33.83 74.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.481 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 1.9 t-20 -70.48 -27.6 64.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.439 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 28.4 m -70.69 -49.3 48.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 79' ' ' TYR . 1.0 OUTLIER -69.3 -44.23 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.6 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -48.3 -52.19 22.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.529 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 6.8 t -58.62 -44.76 90.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.552 HD23 ' CZ3' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -57.09 -34.98 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 19.1 t80 -60.54 -44.71 95.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.433 ' SG ' ' O ' ' A' ' 84' ' ' VAL . 1.7 p -67.11 -32.32 73.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 108.322 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.63 -42.9 93.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.52 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 2.0 t-80 -80.26 -18.69 48.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.629 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.609 ' CG ' ' CD1' ' A' ' 92' ' ' ILE . 29.3 tp60 -84.99 -19.81 31.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 88.11 11.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.609 ' CD1' ' CG ' ' A' ' 90' ' ' GLN . 0.9 OUTLIER -75.5 141.85 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -99.3 106.06 18.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.507 ' CG2' ' CD1' ' A' ' 19' ' ' ILE . 22.5 m -115.25 173.8 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -112.84 -69.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -107.09 171.52 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.529 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 99.4 m -59.97 -44.3 94.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.453 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -35.47 72.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.66 -31.73 72.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -67.5 -40.75 85.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -56.47 -46.27 80.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -72.5 -38.77 68.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -62.76 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.6 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 3.2 pt -55.66 -27.73 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 7.2 mt-10 -58.65 -54.05 51.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.3 -50.59 73.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -52.01 -51.02 60.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -55.33 -52.83 62.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.262 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -53.04 -43.87 66.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -55.47 34.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.12 -50.67 47.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.964 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -57.32 11.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -48.54 -40.84 28.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -42.49 95.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.46 -67.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -48.52 -42.63 33.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.085 . . . . 0.0 110.247 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.415 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 8.3 tm0? -58.76 -54.94 41.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.38 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.86 -49.39 65.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.03 79.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.36 2.0 26.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.74 -8.45 14.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 45.8 p -115.81 65.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -89.17 58.02 3.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.604 1.19 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -164.81 92.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 0.755 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.42 167.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.9 128.49 4.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.76 137.69 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.6 p -171.95 146.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.7 p 178.39 151.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.22 156.85 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -178.87 150.82 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -174.38 92.24 0.32 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -179.16 4.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.3 tt -165.22 149.92 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.361 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.4 m -147.25 173.24 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -176.68 149.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.1 p30 176.39 124.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.94 170.94 11.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 61.66 143.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 138.75 99.76 0.48 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.04 171.41 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.6 159.68 41.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.9 p -119.1 168.92 10.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -66.68 125.35 25.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.617 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.91 113.06 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.8 166.66 23.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 187' ' ' MET . 2.2 tt -98.48 143.55 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.403 1.064 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.485 ' O ' ' CG2' ' A' ' 151' ' ' THR . 0.0 OUTLIER -85.65 154.92 59.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.957 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -16.85 20.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -65.2 -38.72 91.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 148' ' ' SER . 3.3 t -73.3 -32.54 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.437 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.505 ' O ' ' CG2' ' A' ' 156' ' ' VAL . 5.8 mt -71.94 -44.19 64.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -72.35 -38.44 68.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.38 -48.86 73.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 109.219 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' TRP . . . . . 0.576 ' CD1' HG23 ' A' ' 159' ' ' VAL . 9.8 t90 -62.12 -43.95 97.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 108.039 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 152' ' ' LEU . 7.0 t -44.79 -43.84 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -69.64 -36.42 76.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 155' ' ' TRP . 4.3 t -63.38 -37.48 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.576 HG23 ' CD1' ' A' ' 155' ' ' TRP . 59.0 t -65.88 -32.09 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -19.69 59.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -102.36 -82.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 163' ' ' ALA . 2.9 mptt -63.45 -67.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 162' ' ' LYS . . . 85.96 -47.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -167.79 66.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.78 171.91 4.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -19.18 18.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.71 1.86 49.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 172' ' ' PHE . 0.4 OUTLIER -102.88 -34.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.612 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 0.5 OUTLIER -55.59 -46.36 99.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.309 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.0 -33.58 4.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.402 ' C ' ' SD ' ' A' ' 171' ' ' MET . 3.1 tmm? -61.51 -44.32 97.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . 0.568 ' CE1' HG21 ' A' ' 168' ' ' VAL . 15.8 m-30 -61.93 -44.25 97.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' SER . . . . . 0.454 ' HB3' ' CD1' ' A' ' 267' ' ' ILE . 11.8 p -71.15 -25.79 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.96 92.62 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.485 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.25 -31.92 55.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 2.9 t -84.21 7.21 19.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.953 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -45.15 101.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 63.68 52.63 44.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -94.06 -175.35 3.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.615 ' CB ' ' CD ' ' A' ' 181' ' ' PRO . 0.7 OUTLIER -115.9 -171.22 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.425 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' PRO . . . . . 0.615 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.1 Cg_endo -75.02 -38.97 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -68.98 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 183' ' ' ASP . 0.0 OUTLIER -44.89 -40.66 6.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 262' ' ' TYR . 47.0 mt -70.45 -41.95 72.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -55.28 -42.84 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.468 ' CG2' HD13 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -66.45 -42.01 88.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 110.384 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' MET . . . . . 0.54 ' SD ' ' CZ3' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -61.38 -45.42 94.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.3 mp -79.61 -4.39 51.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -94.6 -18.51 21.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.47 ' CG2' HD21 ' A' ' 152' ' ' LEU . 1.5 t -97.18 -22.05 16.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.481 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -50.03 179.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -172.59 52.93 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -99.03 23.11 37.76 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 1.7 t-80 90.02 131.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -57.83 -37.36 73.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.32 -49.37 74.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.17 75.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' MET . . . . . 0.481 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.1 -33.22 68.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -65.03 -47.88 75.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.182 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 28.2 mtm -58.86 -46.34 88.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' LEU . . . . . 0.508 ' CD1' ' HA3' ' A' ' 269' ' ' GLY . 2.3 tp -67.2 -38.68 85.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -55.98 -39.52 71.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 1.2 tt0 -66.82 -37.02 83.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.262 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -36.53 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.49 ' CG1' HD13 ' A' ' 201' ' ' LEU . 7.7 mt -70.02 -56.36 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.16 -42.88 86.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 31.5 tt0 -65.87 -29.66 70.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.44 -38.97 91.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.447 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -68.67 -49.09 61.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.25 -48.07 74.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.092 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.93 -36.58 82.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 212' ' ' TRP . . . . . 0.568 ' CZ3' HD11 ' A' ' 215' ' ' LEU . 58.2 t-105 -58.72 -50.02 75.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.59 -33.24 66.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -59.48 -41.99 91.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 215' ' ' LEU . . . . . 0.568 HD11 ' CZ3' ' A' ' 212' ' ' TRP . 2.7 pp -89.78 0.04 57.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.12 98.15 37.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.6 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 86.25 1.44 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 70.7 t -115.39 98.55 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.396 1.06 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.17 -177.81 5.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.605 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . 74.06 112.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 60.04 124.26 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 222' ' ' PRO . . . . . 0.432 ' O ' ' CG1' ' A' ' 223' ' ' ILE . 18.5 Cg_endo -74.96 54.53 3.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.536 1.808 . . . . 0.0 111.056 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 223' ' ' ILE . . . . . 0.457 HG23 ' CG ' ' A' ' 229' ' ' ARG . 5.7 pt 48.74 -175.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' A' ' 227' ' ' GLN . . . -103.31 159.18 30.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.26 2.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 93.75 -23.24 31.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 224' ' ' ALA . 38.9 mm-40 -76.66 117.65 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 228' ' ' MET . . . . . 0.593 ' HB3' ' CZ2' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -66.02 119.07 10.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 230' ' ' GLU . 0.0 OUTLIER -95.03 -176.71 3.92 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 229' ' ' ARG . 1.5 mp0 -33.41 137.83 0.28 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 231' ' ' PRO . . . . . 0.472 ' CG ' HG22 ' A' ' 256' ' ' ILE . 18.0 Cg_endo -75.11 88.17 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.759 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 232' ' ' ARG . . . . . 0.433 ' HD2' ' CB ' ' A' ' 234' ' ' SER . 1.3 ptt180 -86.13 -175.55 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 233' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -72.07 -39.02 59.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 234' ' ' SER . . . . . 0.433 ' CB ' ' HD2' ' A' ' 232' ' ' ARG . 0.9 OUTLIER -65.46 -52.45 52.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 110.01 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -59.77 -44.44 93.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 236' ' ' ILE . . . . . 0.566 HG22 ' CH2' ' A' ' 265' ' ' TRP . 52.1 mt -60.32 -21.01 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -79.41 -22.09 44.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 93.14 21.72 29.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 4.5 t -75.68 -37.03 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 240' ' ' THR . . . . . 0.409 HG21 ' NH2' ' A' ' 232' ' ' ARG . 72.0 p -123.36 -1.99 8.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.35 140.4 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 242' ' ' THR . . . . . 0.555 ' CG2' ' N ' ' A' ' 243' ' ' LEU . 0.4 OUTLIER -89.82 176.69 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . 0.587 ' CD2' ' CD1' ' A' ' 247' ' ' ILE . 3.2 tm? -69.67 -53.1 20.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 244' ' ' GLN . . . . . 0.412 ' N ' HG22 ' A' ' 242' ' ' THR . 22.0 mt-30 -53.88 -56.39 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.4 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . 0.437 ' HB3' ' CE ' ' A' ' 228' ' ' MET . 5.7 mt-10 -60.32 -33.21 72.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.247 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 246' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 242' ' ' THR . 8.5 mm-40 -64.0 -65.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 247' ' ' ILE . . . . . 0.587 ' CD1' ' CD2' ' A' ' 243' ' ' LEU . 0.7 OUTLIER -45.0 -37.03 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -65.64 -36.03 91.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 249' ' ' TRP . . . . . 0.593 ' CZ2' ' HB3' ' A' ' 228' ' ' MET . 0.3 OUTLIER -73.28 -47.77 40.21 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.9 ptp -68.74 -13.52 62.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 98.6 m -118.29 21.9 12.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 252' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 255' ' ' PRO . 1.2 t-80 -89.41 176.53 6.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.531 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 253' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 4.8 t30 -125.39 111.43 26.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -74.95 155.0 99.99 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.967 -0.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.08 120.05 5.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 256' ' ' ILE . . . . . 0.472 HG22 ' CG ' ' A' ' 231' ' ' PRO . 11.2 mt -81.32 136.18 49.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . 0.505 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.1 Cg_endo -75.06 53.45 3.37 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 258' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 259' ' ' GLY . 2.2 t -65.39 -63.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 259' ' ' GLY . . . . . 0.408 ' N ' HG11 ' A' ' 258' ' ' VAL . . . -61.13 -39.69 97.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -65.02 -35.42 81.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 110.362 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 261' ' ' ILE . . . . . 0.625 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 6.8 mt -64.73 -43.39 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . 0.574 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.4 t80 -64.45 -47.35 79.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . 0.421 ' CE ' ' HA ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.86 -43.88 81.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.372 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.421 ' HA ' ' CE ' ' A' ' 263' ' ' LYS . 3.6 ttp180 -56.72 -34.09 67.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.625 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 46.7 m0 -62.5 -47.83 82.22 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . 72.1 mt -57.53 -46.97 86.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 173' ' ' SER . 0.6 OUTLIER -60.01 -31.16 47.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -57.43 12.84 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.397 1.06 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 269' ' ' GLY . . . . . 0.508 ' HA3' ' CD1' ' A' ' 201' ' ' LEU . . . -61.96 -59.0 10.31 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 0.0 111.061 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 270' ' ' LEU . . . . . 0.466 ' O ' ' CG2' ' A' ' 274' ' ' VAL . 11.0 mt -42.6 -28.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 271' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 269' ' ' GLY . 0.9 OUTLIER -70.47 -47.59 59.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 269' ' ' GLY . 11.1 tttt -67.7 -43.55 79.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 52.1 mt -60.57 -46.18 95.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 274' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 270' ' ' LEU . 38.4 t -62.96 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -67.06 -16.37 64.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -37.88 57.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.83 18.1 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 87.9 p -71.96 113.7 22.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 64.23 6.02 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 3.0 m -156.85 125.85 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 2.7 t -134.47 135.9 42.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.051 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 91.1 mt -141.45 -64.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 51.82 177.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -176.7 99.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.56 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 285' ' ' HIS . . . . . 0.447 ' CG ' ' N ' ' A' ' 286' ' ' HIS . 1.2 t-80 -172.35 160.59 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.615 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 286' ' ' HIS . . . . . 0.496 ' HB3' ' CD2' ' A' ' 287' ' ' HIS . 13.9 m-70 -142.05 -62.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.582 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 287' ' ' HIS . . . . . 0.533 ' O ' ' CG ' ' A' ' 288' ' ' HIS . 7.3 p80 -178.7 148.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.607 1.192 . . . . 0.0 109.629 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 288' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 287' ' ' HIS . 7.3 m-70 -171.29 106.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.58 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 0.0 109.635 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.093 HG11 HG21 ' A' ' 34' ' ' ILE . 39.5 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.801 HD21 HD11 ' A' ' 85' ' ' LEU . 11.6 mt -103.59 155.42 18.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.15 179.71 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.38 -58.01 16.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.08 -40.83 23.82 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.61 ' OE2' HG12 ' A' ' 88' ' ' VAL . 1.2 mt-10 -58.89 -40.63 84.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.576 HD11 HD13 ' A' ' 31' ' ' LEU . 6.4 tp -66.62 -43.18 85.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 3.1 t70 -56.57 -31.83 64.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -45.31 35.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.833 ' CE3' HD22 ' A' ' 85' ' ' LEU . 27.9 t-105 -56.65 -59.02 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -22.02 58.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 1.1 mmpt? -86.6 46.75 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.466 HD13 HG13 ' A' ' 84' ' ' VAL . 75.8 mt -149.15 119.21 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' CG ' ' HB3' ' A' ' 96' ' ' ASP . 4.4 ptm85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.244 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.523 0.202 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -142.53 168.46 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.576 HD13 HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.06 -28.03 68.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -44.88 95.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -62.95 -36.07 82.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.093 HG21 HG11 ' A' ' 7' ' ' VAL . 5.7 mt -63.54 -50.26 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -57.04 -45.12 83.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -62.44 -39.64 94.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.15 -52.75 64.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.665 ' CB ' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -62.79 -34.86 78.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.72 -41.24 94.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -65.1 -34.91 79.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.889 ' O ' HG12 ' A' ' 46' ' ' VAL . 95.8 mt -61.72 -48.7 79.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -56.92 -32.74 66.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -71.6 -30.24 65.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 53.3 t80 -78.29 2.98 16.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 74.37 34.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.889 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.7 p -124.92 150.24 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -63.85 125.17 87.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.95 18.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.65 -8.1 62.67 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.753 HD12 HD11 ' A' ' 60' ' ' ILE . 22.2 mt -74.25 -24.62 59.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.665 HD23 ' CB ' ' A' ' 38' ' ' SER . 10.5 tp -78.75 -20.71 49.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.79 -22.04 63.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.91 153.99 43.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.504 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 8.0 t -69.87 -29.17 66.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.47 -49.91 65.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -65.71 -35.35 90.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.719 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -64.17 -39.62 94.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -46.05 90.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -59.19 -38.9 80.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.753 HD11 HD12 ' A' ' 50' ' ' LEU . 1.2 mp -67.54 -69.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.525 ' N ' HG22 ' A' ' 60' ' ' ILE . 14.0 tp -43.9 -32.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.79 -48.91 58.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -92.77 20.99 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.275 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.535 HD23 ' CD2' ' A' ' 79' ' ' TYR . 11.9 tp -111.69 -28.45 8.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.602 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -52.75 -45.23 96.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.94 -40.37 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.825 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.2 OUTLIER -68.46 -12.11 60.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.967 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.5 mt -71.12 -43.95 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.16 -7.01 51.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.825 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.15 -5.45 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.618 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.74 -99.38 0.42 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.458 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 26.8 p 167.54 -177.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.09 -41.02 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -71.32 -46.25 61.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.618 HD13 ' CA ' ' A' ' 71' ' ' GLY . 7.1 tt -59.84 -34.26 72.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.512 ' HA ' HD22 ' A' ' 68' ' ' LEU . 2.9 ttm-85 -61.18 -48.93 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.2 -35.2 64.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.713 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -62.32 -47.11 85.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.967 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.5 t80 -62.77 -40.67 98.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.657 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.5 t-20 -62.82 -29.88 71.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.575 HG23 ' HH2' ' A' ' 16' ' ' TRP . 53.5 m -70.01 -46.48 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.719 HG23 ' SG ' ' A' ' 57' ' ' CYS . 7.5 mt -66.18 -43.99 91.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.971 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -49.95 -51.57 40.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.571 HG22 ' HB2' ' A' ' 100' ' ' ALA . 4.2 t -58.62 -43.26 87.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.833 HD22 ' CE3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -56.75 -42.94 80.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -60.81 -32.7 72.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.52 ' HA ' HD12 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -69.87 -39.88 76.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.331 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.61 HG12 ' OE2' ' A' ' 12' ' ' GLU . 43.1 t -64.79 -32.85 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.504 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 23.7 m80 -67.88 -40.22 83.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.618 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.701 ' CB ' HD11 ' A' ' 92' ' ' ILE . 1.7 mm-40 -85.4 -20.13 30.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 87' ' ' CYS . 1.2 ttt180 71.52 48.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.701 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.4 mp -90.29 141.33 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -62.63 106.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 9.1 m -130.62 171.94 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -144.07 -46.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.409 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -122.48 170.87 9.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.657 HG22 ' CG ' ' A' ' 80' ' ' ASN . 85.2 m -59.91 -45.48 92.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -60.41 -31.73 70.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -33.52 76.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.836 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.17 -38.77 78.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.597 HD13 ' OD1' ' A' ' 80' ' ' ASN . 1.1 mp -56.55 -46.65 80.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -72.69 -42.26 64.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.459 ' CG ' HG22 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.58 -62.19 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.971 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.7 pt -55.83 -30.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 3.5 mt-10 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 1.044 HD12 ' OD1' ' A' ' 183' ' ' ASP . 1.2 tt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.91 159.86 53.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.71 14.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.454 1.765 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -65.28 -38.08 89.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.552 HG21 HG12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -73.33 -40.42 64.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.897 ' O ' HG23 ' A' ' 156' ' ' VAL . 17.4 mt -55.1 -43.53 74.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -64.81 -41.41 95.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -57.53 -49.08 77.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.575 ' CZ2' HG22 ' A' ' 159' ' ' VAL . 27.3 t-105 -62.1 -47.28 85.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 152' ' ' LEU . 53.1 t -45.42 -43.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -36.69 83.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 154' ' ' ALA . 90.0 t -63.39 -44.95 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.575 HG22 ' CZ2' ' A' ' 155' ' ' TRP . 94.6 t -61.27 -46.73 96.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.56 -16.51 64.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.364 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.45 -52.66 7.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.649 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -165.09 58.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.733 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -39.02 -47.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -109.68 105.59 14.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.666 ' O ' HG12 ' A' ' 168' ' ' VAL . 44.3 p 179.84 163.52 0.84 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.3 Cg_endo -74.98 -17.54 19.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.74 5.18 52.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.733 HG11 ' O ' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -110.52 -32.93 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.5 mm -56.53 -44.34 99.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.95 -37.45 2.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.469 ' SD ' HG13 ' A' ' 158' ' ' VAL . 0.0 OUTLIER -62.34 -38.02 87.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.547 ' HB2' ' CH2' ' A' ' 155' ' ' TRP . 17.7 t80 -71.26 -44.43 65.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' SER . . . . . 0.452 ' HB3' HD11 ' A' ' 267' ' ' ILE . 20.5 p -61.8 -27.5 68.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.57 -45.86 61.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.522 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.12 -10.94 59.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.449 ' HB2' HD23 ' A' ' 184' ' ' LEU . 0.3 OUTLIER -119.6 13.99 12.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 173' ' ' SER . 10.8 pt-20 -42.6 116.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.71 65.28 0.67 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.749 ' HB1' ' OD2' ' A' ' 183' ' ' ASP . . . -103.7 170.65 7.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.725 HG21 HD11 ' A' ' 247' ' ' ILE . 0.8 OUTLIER -94.66 -175.77 0.5 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.38 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.2 Cg_endo -75.01 -37.25 2.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -69.59 -30.52 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 1.044 ' OD1' HD12 ' A' ' 147' ' ' ILE . 3.5 t0 -82.85 -49.31 9.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 180' ' ' THR . 13.1 mt -61.86 -38.22 87.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 181' ' ' PRO . 77.6 m-20 -64.7 -42.37 95.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.891 HG22 HD21 ' A' ' 152' ' ' LEU . 0.7 OUTLIER -61.28 -47.64 85.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.414 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.571 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -63.06 -44.93 94.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 201' ' ' LEU . 0.9 OUTLIER -66.74 -20.46 65.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.79 -48.95 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 187' ' ' MET . 9.2 t -66.74 -18.62 65.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.667 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -51.07 -179.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.459 ' H ' HG22 ' A' ' 191' ' ' VAL . . . 170.44 96.57 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -143.66 -51.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -171.64 118.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.566 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.55 -37.99 74.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.53 -49.39 76.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.646 ' HB1' ' CG2' ' A' ' 273' ' ' ILE . . . -59.32 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.667 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.5 OUTLIER -58.05 -33.35 68.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 111.01 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -62.31 -54.54 39.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.38 -39.52 83.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.869 ' HB2' HD11 ' A' ' 273' ' ' ILE . 1.6 tp -57.64 -42.7 83.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -62.15 -34.44 76.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -66.93 -46.35 75.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -41.35 88.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.767 HD11 ' HA ' ' A' ' 266' ' ' ILE . 15.3 mt -63.56 -55.04 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -58.47 -40.96 84.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.11 -29.72 70.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 208' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 265' ' ' TRP . 0.6 OUTLIER -63.07 -40.92 99.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.76 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -66.15 -50.21 64.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.02 75.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.61 -39.82 95.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 212' ' ' TRP . . . . . 0.759 ' CE3' HD11 ' A' ' 215' ' ' LEU . 38.6 t-105 -57.69 -59.43 5.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 108.003 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -56.37 -33.68 65.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.12 -41.91 93.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.253 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 215' ' ' LEU . . . . . 0.759 HD11 ' CE3' ' A' ' 212' ' ' TRP . 2.9 pp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 231' ' ' PRO . . . . . 0.505 ' HG3' ' CD2' ' A' ' 249' ' ' TRP . 18.3 Cg_endo -74.96 141.95 27.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.54 1.81 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.69 175.86 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.76 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -45.79 -38.27 7.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 234' ' ' SER . . . . . 0.561 ' O ' ' HB3' ' A' ' 237' ' ' ALA . 7.0 m -66.65 -43.19 85.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.6 -47.37 85.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.496 HG12 HG22 ' A' ' 258' ' ' VAL . 32.7 mt -60.65 -23.61 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 237' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -73.61 -22.77 59.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 99.16 17.66 26.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.24 -38.31 15.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 0.788 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 240' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 240' ' ' THR . 43.9 m -111.52 6.36 20.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 18.3 t -146.41 143.18 28.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 242' ' ' THR . . . . . 0.552 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -91.06 174.12 7.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.563 HD22 HD12 ' A' ' 247' ' ' ILE . 3.0 tm? -57.48 -53.31 59.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -52.39 44.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.54 71.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 246' ' ' GLN . . . . . 0.461 ' HG3' ' CG1' ' A' ' 258' ' ' VAL . 1.8 tp60 -65.17 -66.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.725 HD11 HG21 ' A' ' 180' ' ' THR . 1.0 OUTLIER -48.25 -42.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.69 -51.43 58.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 249' ' ' TRP . . . . . 0.505 ' CD2' ' HG3' ' A' ' 231' ' ' PRO . 0.0 OUTLIER -58.7 -32.84 69.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 21.0 mtm -69.89 -41.34 74.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 13.8 t -100.75 22.43 12.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.2 OUTLIER -80.79 169.8 17.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 21.6 m-80 -121.62 111.43 33.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.97 159.3 98.2 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.996 -0.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -75.03 129.27 12.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 256' ' ' ILE . . . . . 0.551 HG23 ' HD2' ' A' ' 257' ' ' PRO . 4.2 mt -103.5 137.99 19.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 256' ' ' ILE . 18.1 Cg_endo -75.07 55.4 3.97 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.496 HG22 HG12 ' A' ' 236' ' ' ILE . 2.3 t -61.68 -64.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.65 97.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.8 -38.35 85.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.696 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 11.4 mt -64.46 -45.64 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 262' ' ' TYR . . . . . 0.519 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.2 t80 -65.15 -39.85 93.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.05 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.416 ' HE2' ' N ' ' A' ' 264' ' ' ARG . 1.1 ttpt -61.82 -44.55 96.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.416 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -62.96 -31.65 72.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.696 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 53.7 m0 -61.81 -48.14 81.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 108.027 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.8 HG22 ' CD1' ' A' ' 270' ' ' LEU . 69.0 mt -57.52 -46.05 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 173' ' ' SER . 0.5 OUTLIER -59.72 -36.27 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -53.53 57.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.774 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.55 -60.38 7.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.8 ' CD1' HG22 ' A' ' 266' ' ' ILE . 13.3 mt -45.95 -31.88 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -46.96 84.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.2 OUTLIER -69.2 -37.52 78.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 0.869 HD11 ' HB2' ' A' ' 201' ' ' LEU . 52.0 mt -60.93 -45.67 97.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.626 HG22 ' N ' ' A' ' 165' ' ' SER . 40.3 t -69.11 -45.55 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -16.39 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 2.8 mtt -93.79 -37.86 11.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.72 18.55 14.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.0 150.18 92.52 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.068 HG11 HG21 ' A' ' 34' ' ' ILE . 19.3 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.593 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 10.3 mt -104.11 151.14 23.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.83 179.57 7.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.401 1.063 . . . . 0.0 109.983 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.69 -57.63 18.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.054 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -41.15 27.13 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.23 -39.33 82.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.71 HD21 HD21 ' A' ' 31' ' ' LEU . 8.4 tp -67.5 -40.5 85.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 23.3 t0 -55.88 -32.04 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -45.14 34.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.792 ' CE3' HD12 ' A' ' 85' ' ' LEU . 56.4 t-105 -56.38 -61.15 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 107.995 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -21.14 57.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 12.8 tttt -91.05 39.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.837 HD13 HG13 ' A' ' 84' ' ' VAL . 56.4 mt -141.59 136.8 31.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.418 1.074 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.525 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 1.2 m-85 . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.488 0.185 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -141.01 167.24 22.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.71 HD21 HD21 ' A' ' 13' ' ' LEU . 2.6 mm? -61.66 -28.03 69.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -44.74 95.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -62.8 -37.13 85.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.561 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.068 HG21 HG11 ' A' ' 7' ' ' VAL . 5.1 mt -62.17 -49.71 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.41 -43.5 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -62.64 -40.59 97.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.504 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.16 -52.76 64.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -34.82 76.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.053 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 -60.67 -41.11 94.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.82 -34.82 79.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.958 ' O ' HG12 ' A' ' 46' ' ' VAL . 42.5 mt -58.58 -49.92 75.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -57.01 -39.43 74.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -35.78 78.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.216 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.549 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 17.4 t80 -76.01 -1.23 24.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 74.49 40.55 0.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.958 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.8 p -125.06 150.11 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.02 129.0 93.68 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.79 18.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.35 -8.98 60.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -72.33 -39.89 67.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.527 0.781 . . . . 0.0 109.25 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.636 HD11 HD22 ' A' ' 85' ' ' LEU . 8.8 tp -66.94 -10.71 51.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.19 -21.89 36.25 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.8 154.35 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.432 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.54 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 96.2 p -70.01 -29.2 66.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.1 -50.08 65.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.535 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -69.99 -37.38 73.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.421 1.076 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.822 ' SG ' HG23 ' A' ' 82' ' ' ILE . 4.6 t -64.07 -39.13 93.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -60.03 -46.04 90.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.98 -28.67 69.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.647 HG22 ' N ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -71.17 -71.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.647 ' N ' HG22 ' A' ' 60' ' ' ILE . 13.9 tp -46.43 -31.07 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.18 -49.08 42.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.25 18.6 5.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.514 HD23 ' CD2' ' A' ' 79' ' ' TYR . 14.6 tp -112.12 -26.97 8.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.6 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 5.3 tm0? -52.86 -45.15 97.61 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.274 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -74.97 -40.36 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.815 ' HA ' HG22 ' A' ' 70' ' ' THR . 70.5 m -68.31 -11.95 60.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.051 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.963 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.5 mt -71.14 -43.99 66.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.67 -7.48 52.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.815 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.2 t -120.31 -5.5 9.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.405 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.599 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.1 -98.46 0.38 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.497 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 32.8 p 166.4 -177.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.946 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -59.22 -41.01 87.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.21 -46.58 60.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.599 HD13 ' CA ' ' A' ' 71' ' ' GLY . 7.2 tt -59.91 -34.31 73.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.522 ' HA ' HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -60.98 -49.51 77.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -35.23 64.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.661 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -62.08 -47.16 85.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.963 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -62.65 -42.48 99.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.656 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.5 t-20 -60.36 -31.79 70.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.717 HG23 ' HH2' ' A' ' 16' ' ' TRP . 23.6 m -69.17 -45.08 70.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.394 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.822 HG23 ' SG ' ' A' ' 57' ' ' CYS . 23.3 mt -67.54 -38.58 80.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.979 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -52.17 -55.35 21.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.837 HG13 HD13 ' A' ' 19' ' ' ILE . 2.6 t -58.71 -41.11 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.792 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -57.35 -37.89 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.495 ' O ' ' CD2' ' A' ' 89' ' ' HIS . 37.8 t80 -59.83 -54.96 40.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -58.5 -36.01 73.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -63.65 -40.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 0.0 OUTLIER -55.97 -40.2 72.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.522 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.518 ' HG2' ' CE1' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -86.8 -17.19 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 81.24 40.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.25 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.834 HG22 HG13 ' A' ' 94' ' ' VAL . 1.3 mp -75.91 141.23 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -69.95 101.51 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.834 HG13 HG22 ' A' ' 92' ' ' ILE . 16.8 m -140.81 153.64 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -147.58 19.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.517 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 15.8 t70 -164.41 149.2 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.656 HG22 ' CG ' ' A' ' 80' ' ' ASN . 7.9 m -60.75 -35.12 75.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.517 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 11.5 tttt -69.56 -34.07 73.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -42.49 98.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -68.98 -38.99 79.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.534 HD13 ' OD1' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -56.72 -45.63 81.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.82 -41.87 64.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -62.45 1.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.979 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pt -56.09 -28.04 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 5.8 mt-10 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 110.255 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.562 ' CG2' HG21 ' A' ' 186' ' ' THR . 1.6 tt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.3 160.93 53.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.967 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -23.49 13.83 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -37.12 85.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.554 HG21 HG12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -75.5 -32.7 60.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.431 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.878 ' O ' HG23 ' A' ' 156' ' ' VAL . 26.6 mt -64.95 -43.18 93.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.82 -43.77 78.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.18 -49.19 76.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.591 ' CE2' HG23 ' A' ' 159' ' ' VAL . 19.3 t-105 -62.14 -48.77 78.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 152' ' ' LEU . 39.7 t -47.46 -43.55 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.69 -33.41 72.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.552 HG11 ' HG2' ' A' ' 171' ' ' MET . 84.7 t -75.04 -37.87 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.678 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 6.4 t -63.41 -42.29 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.62 -35.68 52.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.389 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.55 -27.8 66.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.717 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -129.47 -76.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.221 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.52 -47.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 277' ' ' TYR . 32.2 p90 -150.77 112.58 4.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.578 1.174 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.615 ' N ' HG22 ' A' ' 274' ' ' VAL . 41.7 p -179.55 161.74 0.93 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.3 Cg_endo -74.94 -18.07 19.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.585 1.834 . . . . 0.0 111.052 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.6 2.34 56.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.248 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -108.31 -33.67 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.3 mm -51.57 -45.53 90.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.12 -34.71 3.52 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.439 1.758 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.552 ' HG2' HG11 ' A' ' 158' ' ' VAL . 9.8 tpt -61.97 -37.59 85.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.857 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 64.9 t80 -62.47 -44.37 96.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 20.8 t -62.86 -30.24 71.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.71 89.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -76.87 -10.08 59.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.472 ' CB ' HD21 ' A' ' 184' ' ' LEU . 3.8 t -108.39 14.1 25.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -43.25 111.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 40.07 64.18 1.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.7 -175.6 2.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 0.789 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.908 HG21 HD11 ' A' ' 247' ' ' ILE . 0.2 OUTLIER -115.35 -174.12 0.27 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.627 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.5 Cg_endo -74.93 -40.99 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 185' ' ' ASN . 3.4 tt0 -69.25 -64.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.88 -42.66 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 180' ' ' THR . 55.6 mt -70.25 -39.22 75.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 185' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 182' ' ' GLN . 1.1 t30 -55.16 -41.1 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.798 ' CG2' HD21 ' A' ' 152' ' ' LEU . 0.4 OUTLIER -65.41 -43.7 89.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.477 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.556 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.6 OUTLIER -61.6 -45.49 93.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.461 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 1.0 OUTLIER -67.04 -17.73 65.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -79.82 -48.87 12.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.405 ' CG2' HD22 ' A' ' 152' ' ' LEU . 8.3 t -71.24 -8.42 53.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.398 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.646 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.5 OUTLIER -52.3 -176.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.509 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -165.69 56.49 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 193' ' ' GLY . . . . . 0.7 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -114.24 31.67 6.34 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 76.58 134.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 0.729 . . . . 0.0 109.615 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -60.36 -38.1 82.78 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.32 77.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.2 -48.82 80.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.646 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.1 OUTLIER -57.88 -38.42 75.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 0.0 110.976 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -60.37 -54.52 44.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 33.4 ttp -58.82 -29.12 66.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 1.034 HD13 HD11 ' A' ' 273' ' ' ILE . 0.9 OUTLIER -65.54 -36.88 85.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.213 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 202' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 2.1 ttpt -68.73 -29.8 68.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 203' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 0.1 OUTLIER -67.27 -46.9 72.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -48.93 34.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.868 HD11 ' HA ' ' A' ' 266' ' ' ILE . 23.5 mt -59.03 -55.83 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.369 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 206' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 55.3 t30 -58.47 -38.81 78.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 207' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 2.7 tm-20 -65.62 -29.36 69.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 208' ' ' GLU . . . . . 0.635 ' OE1' HD22 ' A' ' 268' ' ' LEU . 1.0 OUTLIER -65.42 -38.59 90.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.242 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.743 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -71.72 -49.91 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.5 -48.08 75.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 211' ' ' GLU . . . . . 0.442 ' O ' HD12 ' A' ' 215' ' ' LEU . 6.8 tt0 -67.69 -36.91 81.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -57.73 -61.68 2.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 107.971 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -56.44 -33.32 65.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -59.2 -35.54 73.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.563 1.164 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 215' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 211' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 231' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 137.7 22.13 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.433 1.754 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.09 -178.56 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.236 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.743 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -53.41 -38.84 58.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 13.2 t -63.19 -41.64 99.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.958 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.19 -38.23 90.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.706 HG12 HG23 ' A' ' 258' ' ' VAL . 24.2 mt -60.44 -29.08 43.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.9 -23.09 61.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.182 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 95.35 21.0 25.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.36 -38.27 16.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 24.4 m -102.45 -1.67 30.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 44.4 t -142.15 151.82 42.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 242' ' ' THR . . . . . 0.583 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -90.05 176.03 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 110.445 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.583 ' N ' HG23 ' A' ' 242' ' ' THR . 3.0 tm? -67.18 -50.59 60.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -51.61 -53.6 36.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 245' ' ' GLU . . . . . 0.456 ' H ' HG22 ' A' ' 242' ' ' THR . 2.3 mm-40 -61.05 -31.43 71.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 246' ' ' GLN . . . . . 0.492 ' CG ' HG11 ' A' ' 258' ' ' VAL . 0.0 OUTLIER -63.95 -67.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.908 HD11 HG21 ' A' ' 180' ' ' THR . 1.0 OUTLIER -46.54 -40.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.42 -50.05 71.83 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.566 1.166 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 249' ' ' TRP . . . . . 0.535 ' CD1' HD13 ' A' ' 256' ' ' ILE . 0.7 OUTLIER -62.62 -31.58 72.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 250' ' ' MET . . . . . 0.418 ' HG3' HG12 ' A' ' 258' ' ' VAL . 7.7 mtm -66.94 -23.64 65.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 15.1 t -117.9 21.82 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.427 ' O ' ' CA ' ' A' ' 255' ' ' PRO . 49.7 t-80 -93.32 172.4 8.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.51 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 32.2 t-20 -119.69 114.15 34.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.36 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.51 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -74.96 159.21 98.34 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 120.994 -2.503 . . . . 0.0 111.01 0.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.427 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.07 121.11 6.35 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.483 1.78 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 256' ' ' ILE . . . . . 0.535 HD13 ' CD1' ' A' ' 249' ' ' TRP . 5.9 mt -90.02 116.42 66.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.822 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.2 Cg_endo -74.98 55.74 4.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.531 1.806 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.706 HG23 HG12 ' A' ' 236' ' ' ILE . 0.3 OUTLIER -59.84 -44.29 93.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 259' ' ' GLY . . . . . 0.416 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -69.81 -39.02 76.6 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.72 -32.42 70.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.299 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.822 HD12 ' O ' ' A' ' 257' ' ' PRO . 4.7 mt -73.04 -46.18 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 262' ' ' TYR . . . . . 0.627 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 8.5 t80 -65.35 -48.47 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.711 ' HA ' HD12 ' A' ' 266' ' ' ILE . 0.0 OUTLIER -56.33 -38.8 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 2.7 mtt-85 -62.76 -36.44 83.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.244 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.474 ' CH2' ' HB2' ' A' ' 209' ' ' ALA . 54.7 m0 -62.01 -43.59 98.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.031 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.926 HG22 HD11 ' A' ' 270' ' ' LEU . 36.1 mt -57.17 -47.54 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -28.83 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 268' ' ' LEU . . . . . 0.635 HD22 ' OE1' ' A' ' 208' ' ' GLU . 0.0 OUTLIER -61.3 -57.65 11.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.544 ' C ' HD11 ' A' ' 201' ' ' LEU . . . -62.17 -57.26 17.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.926 HD11 HG22 ' A' ' 266' ' ' ILE . 11.1 mt -45.98 -35.66 4.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -40.18 96.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 269' ' ' GLY . 54.1 tttt -69.14 -37.74 78.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 1.034 HD11 HD13 ' A' ' 201' ' ' LEU . 35.9 mt -62.29 -46.18 97.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.615 HG22 ' N ' ' A' ' 165' ' ' SER . 77.3 t -68.73 -41.8 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -16.38 64.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.0 -37.87 12.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 0.569 ' HB3' ' CD2' ' A' ' 164' ' ' PHE . 0.7 OUTLIER -99.23 14.65 28.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.46 154.96 71.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.049 HG11 HG21 ' A' ' 34' ' ' ILE . 3.6 t . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.562 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.8 mt -106.81 153.96 21.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.11 179.82 7.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.052 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.93 -57.57 19.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.78 -39.49 24.6 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.03 -38.41 79.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.554 ' CD1' HD11 ' A' ' 31' ' ' LEU . 6.5 tp -72.03 -34.79 69.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -31.55 70.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.521 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -78.17 -44.48 25.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.901 ' CH2' HG23 ' A' ' 81' ' ' THR . 64.0 t-105 -56.43 -48.6 76.65 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.91 -21.75 63.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -92.61 41.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.645 HD11 HG23 ' A' ' 94' ' ' VAL . 67.9 mt -148.01 125.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.793 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.46 0.172 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.97 165.59 26.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 13' ' ' LEU . 2.6 mm? -61.83 -28.34 69.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -61.95 -44.24 97.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -62.91 -37.74 88.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.604 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.049 HG21 HG11 ' A' ' 7' ' ' VAL . 6.6 mt -61.2 -50.1 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.7 -43.9 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.462 ' CE2' ' OE1' ' A' ' 40' ' ' GLU . 16.7 t90 -62.55 -40.21 96.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 108.063 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 34' ' ' ILE . . . -59.28 -52.9 63.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.239 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -34.83 76.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.094 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -41.1 95.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' OE1' ' CE2' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -64.74 -34.94 79.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.933 ' O ' HG12 ' A' ' 46' ' ' VAL . 95.5 mt -58.74 -49.63 76.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -39.46 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmt-85 -65.69 -32.91 74.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 37.5 t80 -75.91 -0.04 20.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 73.83 36.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.933 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.8 p -124.74 150.06 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.43 126.27 90.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.71 18.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.573 1.828 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.43 -9.62 61.65 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.831 HD12 HD11 ' A' ' 60' ' ' ILE . 25.6 mt -72.96 -33.39 65.84 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.821 HD11 HD22 ' A' ' 85' ' ' LEU . 13.2 tp -70.55 -19.69 62.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.42 -22.12 63.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.95 150.21 48.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.482 ' CB ' ' CG ' ' A' ' 89' ' ' HIS . 93.2 p -65.94 -30.58 71.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.059 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.26 -38.58 71.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.492 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -70.39 -43.21 62.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.577 1.173 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.2 p -66.08 -35.73 81.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -59.79 -45.96 90.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.2 -35.66 75.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.831 HD11 HD12 ' A' ' 50' ' ' LEU . 1.2 mp -69.23 -70.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.7 HD11 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -42.83 -36.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.18 -49.22 76.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.16 19.07 7.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.553 HD21 ' CD1' ' A' ' 78' ' ' LEU . 16.4 tp -110.16 -22.62 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.611 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -53.98 -44.84 98.89 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -74.99 -40.07 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.828 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.1 m -68.2 -11.95 60.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.993 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.9 mt -71.13 -43.99 66.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.172 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -73.94 -6.93 50.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.828 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.2 t -120.67 -4.88 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.617 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -81.15 -99.12 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.468 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 22.5 p 166.24 -176.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.021 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -58.73 -41.29 86.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.46 -46.48 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.617 HD13 ' HA2' ' A' ' 71' ' ' GLY . 6.0 tt -59.38 -34.3 72.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.51 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -61.08 -48.25 82.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 t -54.88 -37.62 66.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -59.03 -47.12 86.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.993 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.3 t80 -66.63 -37.65 85.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.755 ' OD1' HD21 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -60.56 -35.89 77.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.901 HG23 ' CH2' ' A' ' 16' ' ' TRP . 13.0 m -70.64 -44.71 66.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.416 HD13 ' CG2' ' A' ' 60' ' ' ILE . 60.5 mt -63.48 -40.25 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 1.066 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -57.52 -53.68 55.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.52 HG22 ' CB ' ' A' ' 100' ' ' ALA . 5.1 t -58.79 -43.72 88.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.821 HD22 HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -57.67 -41.29 81.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 61.7 t80 -62.81 -49.95 72.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.486 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 2.4 p -61.97 -33.58 74.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.521 HG22 ' HB3' ' A' ' 15' ' ' LYS . 3.5 t -60.82 -40.77 86.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.482 ' CG ' ' CB ' ' A' ' 54' ' ' SER . 0.7 OUTLIER -63.09 -34.2 77.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.585 1.178 . . . . 0.0 109.616 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.459 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 3.4 mm-40 -84.84 -19.42 32.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.82 40.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 103' ' ' LYS . 2.6 mp -76.12 141.23 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.72 106.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.645 HG23 HD11 ' A' ' 19' ' ' ILE . 27.2 m -144.51 152.61 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -140.99 12.48 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.389 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -166.4 160.09 15.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.764 ' O ' HD23 ' A' ' 101' ' ' LEU . 54.4 m -60.84 -37.54 82.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -66.4 -31.76 72.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.403 ' HB2' ' CG ' ' A' ' 96' ' ' ASP . 3.8 tp10 -63.01 -41.95 99.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.867 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.03 -43.03 75.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 97' ' ' THR . 4.4 mm? -56.19 -44.21 79.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -73.49 -39.19 65.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.23 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.55 ' HB3' HG21 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -67.13 -61.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.066 HD13 ' HB1' ' A' ' 83' ' ' ALA . 3.8 pt -55.43 -29.81 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 6.0 tt0 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.81 HD12 ' OD1' ' A' ' 183' ' ' ASP . 2.1 tt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.8 164.97 37.37 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 -25.83 11.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.434 1.755 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -65.61 -37.06 85.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.668 HG21 HG12 ' A' ' 147' ' ' ILE . 0.4 OUTLIER -67.41 -37.28 82.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.158 . . . . 0.0 110.361 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 1.002 HD21 HG22 ' A' ' 186' ' ' THR . 28.6 mt -67.76 -43.65 79.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.366 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -67.5 -40.03 85.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -63.21 -48.63 77.49 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.599 ' HE1' HG23 ' A' ' 191' ' ' VAL . 56.6 t-105 -62.03 -44.51 96.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 108.079 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 152' ' ' LEU . 24.6 t -45.41 -43.44 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -35.11 73.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 154' ' ' ALA . 71.3 t -63.43 -37.78 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.931 HG13 ' HB2' ' A' ' 163' ' ' ALA . 60.4 t -63.66 -46.4 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -23.77 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -45.53 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 1.025 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.0 OUTLIER 176.17 69.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.931 ' HB2' HG13 ' A' ' 159' ' ' VAL . . . -35.48 -47.03 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' A' ' 164' ' ' PHE . 11.7 p90 -118.43 142.55 47.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.501 ' N ' HG22 ' A' ' 274' ' ' VAL . 0.0 OUTLIER 170.95 171.57 0.18 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -19.33 17.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -103.85 4.94 35.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 1.025 HG21 ' O ' ' A' ' 162' ' ' LYS . 10.7 t -103.3 -33.71 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 3.2 mm -52.56 -45.45 95.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 109.221 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.89 -36.0 2.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -35.49 79.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.385 1.053 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.806 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 2.2 t80 -64.3 -44.35 91.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.9 p -60.1 -34.0 72.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.99 89.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -11.57 59.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.854 ' OG ' HD21 ' A' ' 184' ' ' LEU . 25.7 t -108.05 13.89 25.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 110.046 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -43.55 102.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 41.84 61.6 2.22 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.565 1.165 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.8 -177.18 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.861 HG21 HD11 ' A' ' 247' ' ' ILE . 1.0 OUTLIER -110.99 -178.39 0.53 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.467 1.105 . . . . 0.0 110.39 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.593 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.4 Cg_endo -74.94 -37.99 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.428 ' CB ' ' HG ' ' A' ' 243' ' ' LEU . 0.6 OUTLIER -69.82 -31.09 68.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.81 ' OD1' HD12 ' A' ' 147' ' ' ILE . 2.3 t0 -79.9 -49.17 12.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.854 HD21 ' OG ' ' A' ' 176' ' ' SER . 47.2 mt -63.3 -37.45 87.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -63.62 -37.06 85.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 186' ' ' THR . . . . . 1.002 HG22 HD21 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -60.74 -43.55 97.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.44 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.559 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -70.02 -45.24 67.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.634 HD21 ' CE2' ' A' ' 172' ' ' PHE . 13.6 mt -63.04 -22.65 67.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -74.98 -45.34 42.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 187' ' ' MET . 4.8 t -76.91 -9.84 58.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.599 HG23 ' HE1' ' A' ' 155' ' ' TRP . 0.5 OUTLIER -52.63 -175.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.511 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -170.15 56.45 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 193' ' ' GLY . . . . . 0.596 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -108.29 28.18 12.39 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 79.29 147.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.779 . . . . 0.0 109.661 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -68.96 -38.11 79.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.17 -49.28 76.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.17 -49.8 76.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.579 ' HE2' HG11 ' A' ' 191' ' ' VAL . 2.2 mmt -57.96 -33.44 68.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -61.82 -54.5 41.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 44.7 mtm -58.95 -46.34 88.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.849 ' HB2' HD11 ' A' ' 273' ' ' ILE . 2.6 tp -60.21 -34.36 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -68.38 -41.3 80.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -41.08 88.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.92 -47.99 67.22 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.85 HD11 ' HA ' ' A' ' 266' ' ' ILE . 15.4 mt -61.02 -53.58 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -58.54 -40.84 84.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.251 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.15 -29.54 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -65.03 -34.14 77.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.722 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -71.49 -50.19 33.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.09 80.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.208 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.72 80.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.09 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 212' ' ' TRP . . . . . 0.969 ' CE3' HD11 ' A' ' 215' ' ' LEU . 59.7 t-105 -57.69 -53.23 60.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -56.16 -33.29 65.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -41.23 91.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 215' ' ' LEU . . . . . 0.969 HD11 ' CE3' ' A' ' 212' ' ' TRP . 3.3 pp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 231' ' ' PRO . . . . . 0.573 ' HD2' ' CZ2' ' A' ' 249' ' ' TRP . 18.5 Cg_endo -74.92 -173.69 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 232' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 235' ' ' ASP . 1.9 ptp180 -118.25 174.55 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.229 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.722 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -55.09 -35.18 59.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 234' ' ' SER . . . . . 0.97 ' O ' HG22 ' A' ' 239' ' ' THR . 0.4 OUTLIER -59.97 -36.25 76.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 109.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 235' ' ' ASP . . . . . 0.428 ' OD1' ' CG ' ' A' ' 232' ' ' ARG . 1.8 m-20 -67.55 -36.04 80.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.541 HD13 HG21 ' A' ' 261' ' ' ILE . 36.0 mt -60.56 -31.38 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -79.6 -22.27 43.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.22 20.78 29.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 239' ' ' THR . . . . . 0.97 HG22 ' O ' ' A' ' 234' ' ' SER . 9.0 t -89.74 -29.76 18.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 240' ' ' THR . . . . . 0.862 HG23 HG23 ' A' ' 239' ' ' THR . 25.7 p -116.7 -0.8 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 7.2 p -144.93 153.84 41.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 242' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -91.99 167.27 12.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.665 ' CD1' HD13 ' A' ' 247' ' ' ILE . 2.3 tm? -55.98 -48.3 76.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.227 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.14 -47.23 45.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.82 -35.28 77.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 246' ' ' GLN . . . . . 0.467 ' HG3' ' CG ' ' A' ' 181' ' ' PRO . 87.9 mm-40 -64.21 -58.65 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.861 HD11 HG21 ' A' ' 180' ' ' THR . 0.9 OUTLIER -58.75 -39.2 76.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.62 57.72 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 249' ' ' TRP . . . . . 0.718 ' CZ2' HD13 ' A' ' 256' ' ' ILE . 0.0 OUTLIER -65.67 -31.57 72.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 2.8 mtm -68.54 -22.78 64.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.9 p -118.09 21.97 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.1 OUTLIER -81.54 173.39 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 4.2 m120 -121.92 111.35 32.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -75.05 159.25 98.24 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.018 0.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -74.93 119.95 5.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 256' ' ' ILE . . . . . 0.718 HD13 ' CZ2' ' A' ' 249' ' ' TRP . 6.0 mt -95.44 128.57 37.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.45 4.26 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.559 1.821 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.485 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.5 OUTLIER -60.48 -44.78 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.21 -34.49 88.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -32.36 71.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 0.741 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.541 HG21 HD13 ' A' ' 236' ' ' ILE . 10.5 mt -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 262' ' ' TYR . . . . . 0.593 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 12.3 t80 -65.67 -37.96 87.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -60.97 -45.59 94.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.413 ' N ' ' HD2' ' A' ' 263' ' ' LYS . 2.4 ttt180 -64.44 -31.53 72.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 110.226 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.452 ' CH2' ' HB ' ' A' ' 236' ' ' ILE . 46.5 m0 -61.94 -47.48 84.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.019 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.85 ' HA ' HD11 ' A' ' 205' ' ' ILE . 81.6 mt -57.38 -44.78 84.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -35.45 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -54.35 48.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.734 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.36 -60.27 8.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.808 ' CD1' HG22 ' A' ' 266' ' ' ILE . 13.2 mt -45.21 -32.35 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -46.85 84.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 269' ' ' GLY . 16.4 tttt -69.09 -37.58 78.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 0.849 HD11 ' HB2' ' A' ' 201' ' ' LEU . 52.5 mt -62.97 -40.98 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.501 HG22 ' N ' ' A' ' 165' ' ' SER . 22.2 t -71.83 -44.98 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -58.85 -16.36 16.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.75 -37.84 11.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.182 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.47 17.73 15.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.03 150.15 92.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.444 1.76 . . . . 0.0 110.982 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.955 HG11 HG21 ' A' ' 34' ' ' ILE . 3.0 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.596 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -98.2 152.21 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.93 179.65 7.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.007 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.33 -57.91 17.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.564 1.165 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.71 -41.02 25.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.24 -38.93 81.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 0.807 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 9' ' ' SER . 5.3 tp -67.41 -42.82 82.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.55 -32.13 62.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -45.63 41.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.754 ' CH2' HG23 ' A' ' 81' ' ' THR . 68.4 t-105 -57.14 -48.19 79.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.019 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.8 -25.38 67.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -87.62 47.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.394 1.059 . . . . 0.0 109.366 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.9 mm -131.23 141.19 46.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.508 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.514 0.197 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.0 169.56 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -61.04 -28.29 68.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -46.15 91.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -62.93 -35.71 80.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.637 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.955 HG21 HG11 ' A' ' 7' ' ' VAL . 3.5 mt -62.71 -49.46 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.93 -44.28 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.386 1.054 . . . . 0.0 109.332 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.402 ' CZ3' ' HB2' ' A' ' 78' ' ' LEU . 87.2 t90 -62.59 -40.04 95.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.618 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -58.93 -53.11 62.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -34.87 74.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -41.06 94.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.52 -34.86 79.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.86 ' O ' HG12 ' A' ' 46' ' ' VAL . 47.0 mt -58.74 -49.46 77.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -56.93 -41.59 78.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -58.47 -38.15 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.536 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 8.2 t80 -75.98 -7.12 53.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 73.24 48.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.86 HG12 ' O ' ' A' ' 41' ' ' LEU . 10.5 p -124.97 150.08 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -64.11 131.1 94.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.86 18.34 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.93 -12.17 56.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.5 mt -72.64 -40.69 66.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.757 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.604 HD12 ' SG ' ' A' ' 57' ' ' CYS . 9.7 tp -68.57 -9.97 52.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.21 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.38 -22.06 32.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -125.71 152.01 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.455 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.502 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 33.8 t -66.46 -30.94 71.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.24 -49.9 67.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -69.94 -36.07 72.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.604 ' SG ' HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -63.63 -42.59 98.15 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.549 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 1.4 ttp180 -59.98 -37.49 79.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.25 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -38.51 88.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 1.4 mp -63.28 -65.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.85 HD11 ' CE1' ' A' ' 79' ' ' TYR . 9.8 tp -51.7 -27.49 11.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.01 -48.58 25.89 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -90.8 16.22 9.72 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 0.79 . . . . 0.0 110.224 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.505 HD23 ' CD2' ' A' ' 79' ' ' TYR . 20.6 tp -111.95 -25.29 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.6 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.4 tm0? -52.85 -45.41 97.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.7 Cg_endo -74.95 -39.87 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.801 ' HA ' HG22 ' A' ' 70' ' ' THR . 67.3 m -68.48 -12.14 60.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.955 HD11 ' CG ' ' A' ' 79' ' ' TYR . 7.2 mt -71.21 -43.92 66.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.31 -6.67 49.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.37 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.801 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.54 -4.59 9.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.591 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -82.08 -99.86 0.44 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 14.4 p 167.84 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -41.41 87.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -71.58 -46.38 59.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.591 HD13 ' HA2' ' A' ' 71' ' ' GLY . 6.5 tt -59.3 -34.21 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.503 ' HA ' HD22 ' A' ' 68' ' ' LEU . 45.0 ttm180 -61.68 -47.81 83.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -36.38 65.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.946 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.641 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -60.31 -47.31 86.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.955 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.5 t80 -64.52 -42.15 95.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.557 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.1 t-20 -54.99 -33.19 62.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.754 HG23 ' CH2' ' A' ' 16' ' ' TRP . 2.6 m -70.36 -48.28 57.07 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.607 1.192 . . . . 0.0 110.405 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.404 HG22 ' HB2' ' A' ' 61' ' ' LEU . 5.5 mt -63.27 -32.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.96 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -59.63 -56.14 25.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.646 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.9 t -57.81 -42.22 81.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.624 HD12 ' CE3' ' A' ' 16' ' ' TRP . 1.8 tp -56.7 -46.51 81.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.549 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 49.0 t80 -59.75 -33.9 72.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.529 ' SG ' HG11 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -72.67 -35.77 67.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 108.257 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.9 t -65.35 -32.95 60.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 17.7 m-70 -69.14 -38.99 79.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.635 ' CB ' HD11 ' A' ' 92' ' ' ILE . 0.3 OUTLIER -84.88 -20.09 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' CYS . 25.6 ttt180 71.47 47.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.635 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.7 mp -86.25 141.74 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -62.22 105.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.529 HG11 ' SG ' ' A' ' 87' ' ' CYS . 31.1 m -134.38 173.01 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.46 -48.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.81 171.2 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.557 HG22 ' CG ' ' A' ' 80' ' ' ASN . 55.6 m -59.65 -46.83 87.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 110.388 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -31.16 69.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -68.41 -36.26 78.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.865 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.4 -47.22 64.86 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 97' ' ' THR . 1.2 mm? -55.71 -37.69 68.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.9 -47.67 36.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.42 ' HG2' HG22 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -64.47 -57.79 8.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.96 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 2.1 pt -54.88 -30.49 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.763 HD12 ' OD1' ' A' ' 183' ' ' ASP . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.05 160.22 52.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -23.05 14.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.5 -37.31 86.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.735 ' OG1' HD21 ' A' ' 175' ' ' LEU . 0.6 OUTLIER -67.18 -36.77 82.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.968 HD21 HG22 ' A' ' 186' ' ' THR . 26.9 mt -65.61 -42.83 91.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -43.68 80.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.18 77.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.429 ' CE2' HG23 ' A' ' 159' ' ' VAL . 33.1 t-105 -62.27 -46.92 86.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.921 HG23 ' O ' ' A' ' 152' ' ' LEU . 40.7 t -48.28 -43.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -61.51 -36.94 81.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 1.106 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.83 -37.64 73.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.502 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 15.9 t -68.92 -34.52 64.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.09 -40.0 60.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.42 -76.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.704 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 3.0 mmpt? -69.23 -70.9 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.34 -48.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 277' ' ' TYR . 23.6 p90 -162.29 126.68 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.524 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -178.27 170.1 0.86 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.026 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -18.95 18.48 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.561 1.821 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.89 1.54 55.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -104.98 -33.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.2 mm -55.76 -44.52 99.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.01 -35.82 2.9 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.42 1.747 . . . . 0.0 111.083 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.27 -39.67 93.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.489 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 39.8 t80 -66.37 -29.75 69.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.6 p -73.18 -27.08 61.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.56 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.735 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -76.64 -30.39 56.82 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.573 ' HB2' HD21 ' A' ' 184' ' ' LEU . 59.5 p -97.42 13.94 28.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.939 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -41.96 104.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.218 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.23 73.24 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.44 ' HB3' ' HG ' ' A' ' 184' ' ' LEU . . . -104.13 -174.39 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 0.798 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.902 HG21 HD11 ' A' ' 247' ' ' ILE . 1.9 p -103.73 -179.18 0.73 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 110.438 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -38.83 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.58 -36.65 76.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.763 ' OD1' HD12 ' A' ' 147' ' ' ILE . 3.9 t0 -76.7 -48.67 18.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.229 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.573 HD21 ' HB2' ' A' ' 176' ' ' SER . 32.4 mt -59.61 -47.72 84.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -55.46 -36.23 66.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.968 HG22 HD21 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -64.64 -46.89 80.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.434 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.568 ' O ' HG22 ' A' ' 190' ' ' THR . 1.7 ttp -63.36 -45.38 91.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 111.027 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.693 HD22 ' HE1' ' A' ' 198' ' ' MET . 13.1 mt -71.11 -18.94 62.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.03 -45.55 33.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 187' ' ' MET . 13.1 t -71.03 -17.48 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.591 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -51.12 -179.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.466 ' H ' HG22 ' A' ' 191' ' ' VAL . . . 171.15 59.6 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.549 1.156 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -97.21 -52.77 1.43 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.13 130.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 0.785 . . . . 0.0 109.625 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -57.49 -39.72 77.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.97 -49.43 75.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.498 ' HB1' ' CG2' ' A' ' 273' ' ' ILE . . . -59.44 -49.39 77.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.693 ' HE1' HD22 ' A' ' 188' ' ' LEU . 3.7 mmt -58.05 -33.26 68.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -54.44 41.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.231 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -43.85 98.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.717 HD12 ' HA3' ' A' ' 269' ' ' GLY . 2.9 tp -57.61 -37.15 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -68.16 -36.84 80.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.93 -46.46 74.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.54 -48.97 70.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.893 HD11 ' HA ' ' A' ' 266' ' ' ILE . 14.0 mt -58.86 -53.46 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -58.12 -39.01 77.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.22 -29.8 70.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 208' ' ' GLU . . . . . 0.425 ' HB3' ' CE2' ' A' ' 265' ' ' TRP . 0.0 OUTLIER -66.79 -36.9 83.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.552 ' HB1' ' HA3' ' A' ' 233' ' ' GLY . . . -70.69 -49.76 43.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.92 75.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -34.42 76.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -60.48 -64.86 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -56.16 -33.17 64.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -40.05 88.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 215' ' ' LEU . . . . . 0.602 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.5 pp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 231' ' ' PRO . . . . . 0.584 ' HD2' ' CH2' ' A' ' 249' ' ' TRP . 18.3 Cg_endo -74.92 -168.6 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -108.44 176.91 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.552 ' HA3' ' HB1' ' A' ' 209' ' ' ALA . . . -59.87 -37.29 92.34 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 13.6 m -60.11 -29.53 68.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.944 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 235' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.3 OUTLIER -74.44 -35.97 63.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.709 HD13 HG21 ' A' ' 261' ' ' ILE . 32.3 mt -60.62 -29.61 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.29 62.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 84.29 23.0 53.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.45 -38.26 13.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 110.41 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 240' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 240' ' ' THR . 14.5 m -104.06 -0.54 28.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.408 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 241' ' ' SER . . . . . 0.407 ' CB ' ' OD1' ' A' ' 235' ' ' ASP . 2.6 t -135.95 138.35 42.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.33 174.88 8.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.363 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.647 HD13 ' CG1' ' A' ' 247' ' ' ILE . 2.9 tm? -66.27 -59.9 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -49.36 -24.36 1.88 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -49.59 43.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 246' ' ' GLN . . . . . 0.44 ' OE1' HG13 ' A' ' 258' ' ' VAL . 24.9 mt-30 -69.5 -41.65 75.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.902 HD11 HG21 ' A' ' 180' ' ' THR . 47.5 mm -51.02 -58.54 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 248' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.19 -44.41 97.43 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 249' ' ' TRP . . . . . 0.869 ' CZ3' HG21 ' A' ' 256' ' ' ILE . 0.3 OUTLIER -56.0 -31.48 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 7.9 ttm -70.05 -38.86 75.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 251' ' ' THR . . . . . 0.4 HG22 ' HA2' ' A' ' 248' ' ' GLY . 14.3 t -105.3 22.38 15.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.1 OUTLIER -85.0 171.8 11.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 66.6 m-80 -121.94 111.2 32.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.1 Cg_endo -75.05 159.21 98.29 Favored 'Cis proline' 0 C--N 1.359 1.082 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.944 0.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 256' ' ' ILE . . . . . 0.869 HG21 ' CZ3' ' A' ' 249' ' ' TRP . 1.5 mt -95.17 116.37 66.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 54.96 3.83 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.448 1.762 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.633 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.8 OUTLIER -55.76 -40.36 60.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.27 -40.49 98.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.15 -32.35 70.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 110.336 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.709 HG21 HD13 ' A' ' 236' ' ' ILE . 73.0 mt -64.71 -46.6 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -74.77 -39.09 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.483 ' CE ' HD13 ' A' ' 267' ' ' ILE . 0.4 OUTLIER -61.29 -45.6 93.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -62.6 -33.07 74.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.566 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 51.3 m0 -61.97 -47.87 82.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.893 ' HA ' HD11 ' A' ' 205' ' ' ILE . 77.6 mt -57.77 -45.08 87.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.483 HD13 ' CE ' ' A' ' 263' ' ' LYS . 0.8 OUTLIER -59.96 -35.61 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -54.85 42.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.717 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.14 -59.35 9.65 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.83 HD11 HG22 ' A' ' 266' ' ' ILE . 13.6 mt -44.35 -33.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -63.78 -46.47 85.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 269' ' ' GLY . 4.2 tttt -67.9 -37.5 81.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 0.697 HD11 ' HB2' ' A' ' 201' ' ' LEU . 49.8 mt -62.9 -43.02 98.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 165' ' ' SER . 24.8 t -68.99 -46.0 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -58.59 -16.47 15.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 4.2 ttt -93.62 -37.8 11.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 0.554 ' HB3' ' CD1' ' A' ' 164' ' ' PHE . 0.2 OUTLIER -96.77 18.08 15.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 153.13 92.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.428 1.751 . . . . 0.0 111.025 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.04 HG11 HG21 ' A' ' 34' ' ' ILE . 37.0 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.603 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -103.66 155.15 18.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.86 179.95 7.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 0.0 109.975 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.59 -58.03 16.73 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.93 -40.67 20.59 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.78 -39.9 82.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 0.796 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 31' ' ' LEU . 4.0 tp -67.7 -44.18 78.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -55.86 -37.08 68.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -70.31 -45.42 66.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.633 ' CE3' ' CD1' ' A' ' 85' ' ' LEU . 39.1 t-105 -56.29 -53.25 59.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.02 -15.78 57.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.54 10.83 14.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 2.4 mm -95.03 144.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.571 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.501 0.191 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -143.02 172.39 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.41 -27.82 68.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -45.71 92.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -36.01 82.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.6 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.04 HG21 HG11 ' A' ' 7' ' ' VAL . 4.3 mt -63.66 -50.17 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.92 -43.35 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -62.82 -40.61 97.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 107.981 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.788 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.4 -52.56 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.365 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.466 ' HA ' HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -61.55 -34.83 76.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -60.91 -41.04 95.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.326 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -64.63 -36.77 85.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.891 ' O ' HG12 ' A' ' 46' ' ' VAL . 85.5 mt -59.21 -47.48 85.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -57.1 -39.57 75.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -58.15 -38.73 77.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.485 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 27.2 t80 -76.34 -2.81 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 70.72 47.0 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.571 1.169 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.891 HG12 ' O ' ' A' ' 41' ' ' LEU . 7.4 p -124.79 150.03 29.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -64.44 134.38 95.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -18.76 18.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.436 1.756 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.51 -12.36 55.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.496 HD12 HG22 ' A' ' 46' ' ' VAL . 25.0 mt -72.9 -32.86 65.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.495 HD11 ' CD2' ' A' ' 85' ' ' LEU . 10.5 tp -77.87 -16.01 58.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.47 -22.19 54.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.3 p -125.87 152.59 45.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.473 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 1.9 t -67.19 -30.48 70.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.9 -49.81 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.545 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -63.92 -35.06 91.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.413 ' SG ' HD12 ' A' ' 51' ' ' LEU . 3.7 m -63.89 -41.05 97.8 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.0 ttp85 -59.91 -37.8 80.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -65.69 -37.58 86.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.811 HG21 HD13 ' A' ' 82' ' ' ILE . 1.5 mp -75.03 -75.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' A' ' 79' ' ' TYR . 11.5 tp -41.67 -34.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.58 -49.32 74.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.8 OUTLIER -97.6 23.14 8.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.54 HD21 ' CD1' ' A' ' 78' ' ' LEU . 15.0 tp -111.13 -25.68 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.604 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.8 tm0? -53.11 -45.13 98.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.9 -40.3 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.822 ' HA ' HG22 ' A' ' 70' ' ' THR . 19.3 m -68.58 -11.7 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.977 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.7 mt -71.2 -43.71 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -73.72 -7.19 51.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.822 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.4 t -120.84 -4.93 9.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.587 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -80.63 -98.72 0.34 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 0.0 111.066 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.476 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 23.9 p 165.85 -176.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -41.36 88.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 12.4 pt-20 -71.33 -46.05 61.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.587 HD13 ' HA2' ' A' ' 71' ' ' GLY . 6.7 tt -59.98 -34.33 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.501 ' HA ' HD22 ' A' ' 68' ' ' LEU . 75.1 ttt180 -61.01 -48.96 79.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.223 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -37.25 65.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.054 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.637 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -59.77 -47.21 86.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.977 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.9 t80 -65.8 -37.63 86.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.621 ' OD1' HG22 ' A' ' 97' ' ' THR . 0.2 OUTLIER -62.94 -32.03 73.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.788 HG21 ' HB2' ' A' ' 37' ' ' ALA . 1.8 m -70.18 -48.17 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.435 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.811 HD13 HG21 ' A' ' 60' ' ' ILE . 62.9 mt -64.06 -40.55 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.957 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -53.05 -56.59 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.641 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.9 t -58.26 -42.24 83.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.633 ' CD1' ' CE3' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -56.86 -36.69 70.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -59.69 -50.49 73.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.471 ' HB3' HG11 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -62.94 -37.02 85.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.3 t -63.66 -38.2 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 4.3 m-70 -58.03 -40.23 80.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.485 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -91.54 -7.45 50.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 65.31 40.87 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.485 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.5 mp -75.88 141.24 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.96 91.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.239 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 87' ' ' CYS . 29.3 m -110.89 173.41 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -137.37 -77.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.33 170.95 7.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.621 HG22 ' OD1' ' A' ' 80' ' ' ASN . 22.0 m -60.89 -43.05 99.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.371 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -31.69 72.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.13 -31.61 71.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.853 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -70.99 -40.94 71.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 1.9 mp -56.7 -48.0 78.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -72.18 -40.25 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -64.72 -62.48 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.957 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.6 pt -55.97 -28.05 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.506 HG12 HG21 ' A' ' 151' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.04 159.98 53.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.952 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.01 14.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -65.83 -37.33 85.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.506 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -69.07 -32.54 72.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.925 ' O ' HG23 ' A' ' 156' ' ' VAL . 24.1 mt -63.7 -42.69 97.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -68.07 -44.5 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -57.38 -49.01 77.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.688 ' HE1' HG23 ' A' ' 191' ' ' VAL . 26.4 t-105 -62.15 -47.86 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 152' ' ' LEU . 36.1 t -45.62 -43.42 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.44 -36.73 83.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.674 HG11 ' HE2' ' A' ' 171' ' ' MET . 93.1 t -63.37 -44.83 99.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.515 HG22 ' CZ2' ' A' ' 155' ' ' TRP . 92.3 t -58.71 -46.35 90.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -30.61 71.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.72 -56.16 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.705 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -164.4 66.27 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.71 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -38.69 -49.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.402 ' CZ ' ' HA2' ' A' ' 193' ' ' GLY . 1.7 m-85 -110.25 121.83 46.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.586 ' O ' HG12 ' A' ' 168' ' ' VAL . 0.1 OUTLIER 172.98 168.78 0.25 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.982 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.12 18.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.604 1.844 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.77 1.75 53.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.71 HG11 ' O ' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -103.67 -33.9 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 18.5 mm -56.97 -44.49 99.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.0 Cg_endo -75.1 -35.96 2.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.586 1.835 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.674 ' HE2' HG11 ' A' ' 158' ' ' VAL . 1.6 mmm -62.2 -40.89 97.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.932 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 6.8 t80 -69.11 -44.4 72.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.8 p -58.9 -37.56 76.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.64 91.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.432 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -74.21 -13.63 60.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.651 ' HB2' HD21 ' A' ' 184' ' ' LEU . 5.3 p -104.86 14.01 30.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.071 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.23 108.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 39.33 65.83 0.79 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.74 -178.03 3.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.832 HG21 HD11 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -115.25 -174.44 0.27 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.082 . . . . 0.0 110.393 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -41.63 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -34.22 73.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.25 -45.12 27.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.651 HD21 ' HB2' ' A' ' 176' ' ' SER . 19.9 mt -63.84 -40.58 96.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.02 -35.67 77.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.831 HG22 HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -60.86 -46.79 89.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.45 ' CG ' ' CD1' ' A' ' 155' ' ' TRP . 1.6 ttt -70.21 -40.89 74.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.5 mp -71.39 -12.82 61.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -84.73 -48.92 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.545 ' CG2' HD22 ' A' ' 152' ' ' LEU . 4.2 t -81.19 -0.89 42.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.384 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.897 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.9 OUTLIER -59.71 -176.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.565 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -159.21 53.22 0.37 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 193' ' ' GLY . . . . . 0.752 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -107.54 27.47 15.13 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 74.29 149.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 0.813 . . . . 0.0 109.626 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -37.99 73.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.216 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.42 76.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.752 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.18 -48.91 79.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.897 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.89 -37.83 74.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -54.5 31.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -58.67 -29.43 66.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 1.042 HD13 HD11 ' A' ' 273' ' ' ILE . 0.9 OUTLIER -67.0 -34.34 77.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 202' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 3.6 tptm -68.92 -31.22 69.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.23 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 203' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 0.4 OUTLIER -67.22 -46.77 72.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -48.7 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.775 HD11 ' HA ' ' A' ' 266' ' ' ILE . 17.3 mt -58.73 -55.03 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 206' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 36.8 t-20 -57.87 -40.0 79.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 207' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 5.5 mm-40 -65.65 -29.46 70.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 208' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 212' ' ' TRP . 0.4 OUTLIER -67.94 -29.35 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.843 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -73.2 -50.21 23.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.16 81.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -65.23 -40.71 94.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 212' ' ' TRP . . . . . 0.491 ' CB ' ' O ' ' A' ' 208' ' ' GLU . 43.6 t-105 -57.66 -59.93 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 108.025 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.1 -33.07 64.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -59.16 -35.33 73.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 110.293 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 231' ' ' PRO . . . . . 0.839 ' HB3' HG21 ' A' ' 256' ' ' ILE . 18.1 Cg_endo -75.07 71.97 4.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.41 176.77 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.843 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -77.38 -38.87 27.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.558 1.162 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 234' ' ' SER . . . . . 0.646 ' O ' HG22 ' A' ' 239' ' ' THR . 6.3 m -68.3 -47.38 67.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 110.054 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 235' ' ' ASP . . . . . 0.413 ' OD1' ' HB ' ' A' ' 240' ' ' THR . 0.3 OUTLIER -59.76 -42.34 93.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.847 HG12 HG22 ' A' ' 258' ' ' VAL . 27.2 mt -60.62 -27.79 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 237' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -70.9 -21.83 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.38 20.12 30.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 239' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 234' ' ' SER . 14.6 t -90.13 -37.67 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 240' ' ' THR . . . . . 0.413 ' HB ' ' OD1' ' A' ' 235' ' ' ASP . 20.5 m -101.75 -0.96 33.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.571 1.17 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 4.7 t -145.68 152.54 39.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.043 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 242' ' ' THR . . . . . 0.589 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -91.37 175.98 6.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.402 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.598 ' CD1' HD13 ' A' ' 247' ' ' ILE . 3.1 tm? -58.44 -59.13 5.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.57 -50.12 43.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -31.58 71.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 246' ' ' GLN . . . . . 0.848 ' HG3' HG11 ' A' ' 258' ' ' VAL . 1.9 tp60 -69.56 -70.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.832 HD11 HG21 ' A' ' 180' ' ' THR . 0.8 OUTLIER -40.54 -38.66 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.67 -51.42 58.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 249' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -61.33 -37.7 84.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 11.3 mtm -61.06 -23.38 65.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.7 p -118.14 22.32 12.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.1 OUTLIER -81.41 172.79 13.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.569 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.439 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 1.8 m-20 -122.41 111.01 31.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -75.07 159.15 98.36 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.97 -2.512 . . . . 0.0 111.0 0.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -74.93 119.83 5.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.79 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 256' ' ' ILE . . . . . 0.839 HG21 ' HB3' ' A' ' 231' ' ' PRO . 7.8 mt -88.94 134.28 33.82 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 256' ' ' ILE . 18.5 Cg_endo -74.97 57.93 4.71 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.848 HG11 ' HG3' ' A' ' 246' ' ' GLN . 2.6 t -62.41 -65.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.06 -33.67 84.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -69.34 -32.33 71.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.688 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 10.1 mt -75.32 -45.32 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 262' ' ' TYR . . . . . 0.549 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.1 t80 -64.19 -47.37 80.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.49 -38.76 72.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 2.5 mtt180 -66.29 -33.17 75.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.688 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 52.0 m0 -61.92 -45.06 95.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.06 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.932 HG21 ' CZ ' ' A' ' 172' ' ' PHE . 87.6 mt -57.16 -46.65 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -28.75 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -57.04 13.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.533 ' C ' HD11 ' A' ' 201' ' ' LEU . . . -62.15 -56.87 19.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.432 1.083 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.909 HD11 HG22 ' A' ' 266' ' ' ILE . 12.1 mt -45.08 -36.62 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -63.03 -42.1 99.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.5 OUTLIER -67.48 -38.9 85.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 1.042 HD11 HD13 ' A' ' 201' ' ' LEU . 34.2 mt -60.67 -45.77 96.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 270' ' ' LEU . 59.8 t -63.71 -46.03 95.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -59.73 -16.4 27.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 7.7 tpt -97.48 -37.89 9.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.05 17.29 12.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.054 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.01 150.11 92.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.051 HG11 HG21 ' A' ' 34' ' ' ILE . 22.9 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.617 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.6 mt -103.66 152.11 22.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.16 179.51 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.28 -58.41 14.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.33 -41.14 26.64 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.95 -40.11 83.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 0.712 . . . . 0.0 110.323 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 31' ' ' LEU . 5.2 tp -66.02 -44.12 85.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.07 -33.06 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.95 -45.42 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.665 ' CE3' HD12 ' A' ' 85' ' ' LEU . 33.5 t-105 -56.53 -51.84 67.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -26.59 62.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.42 47.27 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.543 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.9 mm -130.91 134.53 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.539 ' OH ' ' ND2' ' A' ' 80' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.508 0.194 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.32 173.31 11.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.608 HD13 HD11 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -61.77 -26.99 68.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -61.72 -44.08 97.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -35.82 82.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.626 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.051 HG21 HG11 ' A' ' 7' ' ' VAL . 4.6 mt -63.6 -50.1 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.7 -43.98 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -62.77 -39.88 95.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 107.972 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.774 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.12 -53.03 63.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.832 ' HA ' HD12 ' A' ' 41' ' ' LEU . 3.9 t -62.46 -34.89 77.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.928 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -41.2 94.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.07 -34.92 79.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.935 ' O ' HG12 ' A' ' 46' ' ' VAL . 46.8 mt -58.02 -50.01 74.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.22 -41.41 79.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.425 1.078 . . . . 0.0 110.338 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -58.22 -37.57 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.469 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 14.4 t80 -75.99 0.15 19.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 69.82 44.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.935 HG12 ' O ' ' A' ' 41' ' ' LEU . 6.7 p -124.97 150.01 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -64.39 129.78 94.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.73 18.47 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.14 -10.06 58.56 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 26.4 mt -72.9 -38.58 66.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.499 HD11 ' CD2' ' A' ' 85' ' ' LEU . 9.2 tp -69.12 -8.93 49.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.43 -21.79 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -125.66 156.44 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.396 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.402 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 95.0 p -70.03 -29.9 67.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -36.74 72.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.687 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -71.81 -43.43 50.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.586 1.179 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.402 ' SG ' ' HA ' ' A' ' 54' ' ' SER . 13.2 p -67.81 -36.16 79.9 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -60.04 -37.55 80.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -69.94 -30.15 67.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.724 HG12 HD22 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -74.6 -75.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.628 ' N ' HG22 ' A' ' 60' ' ' ILE . 10.5 tp -44.21 -36.2 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.31 -49.19 81.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -97.3 21.1 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 110.224 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.492 HD23 ' CD2' ' A' ' 79' ' ' TYR . 13.5 tp -106.63 -25.63 11.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.609 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 7.7 tm0? -53.25 -45.03 98.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.01 -40.6 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.808 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.43 -11.8 60.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.022 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.943 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.2 mt -70.86 -44.1 67.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -7.33 52.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.808 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.8 t -119.82 -5.64 10.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.682 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -80.71 -98.22 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 24.6 p 167.01 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.746 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -61.06 -40.74 94.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 110.235 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -46.93 59.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.682 HD13 ' CA ' ' A' ' 71' ' ' GLY . 8.1 tt -60.72 -34.49 74.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.53 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.22 -43.85 98.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.174 . . . . 0.0 110.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.57 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 7.4 t -61.54 -30.51 70.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.048 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -66.37 -45.93 78.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.943 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -60.54 -42.3 96.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.1 OUTLIER -57.69 -36.7 72.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.774 HG21 ' HB2' ' A' ' 37' ' ' ALA . 80.8 m -62.96 -48.38 79.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.478 HD13 ' CG2' ' A' ' 60' ' ' ILE . 7.4 mt -66.36 -36.33 77.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.909 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -56.6 -59.95 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.9 t -58.11 -41.52 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.665 HD12 ' CE3' ' A' ' 16' ' ' TRP . 1.5 mp -56.82 -34.98 68.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -62.48 -47.12 85.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -37.34 85.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.4 t -64.28 -41.66 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -55.79 -40.22 72.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.636 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.455 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 1.6 mm-40 -86.8 -18.33 31.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.402 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.3 OUTLIER 78.08 37.42 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.455 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.4 mp -75.83 141.23 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.95 95.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.427 ' CG2' HD11 ' A' ' 19' ' ' ILE . 7.6 m -110.94 173.65 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -147.01 -51.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.23 170.38 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.489 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.3 m -60.39 -45.15 94.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -31.59 69.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.55 -40.59 93.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.821 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.94 -38.53 76.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 1.4 mp -56.68 -46.75 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.5 -41.77 65.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.604 1.19 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -63.32 -62.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.909 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.6 pt -56.22 -28.95 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.919 HD12 ' OD1' ' A' ' 183' ' ' ASP . 1.3 tt . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' SER . . . . . 0.651 ' O ' HG22 ' A' ' 151' ' ' THR . 0.0 OUTLIER -87.04 167.13 22.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.14 9.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -37.2 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 148' ' ' SER . 1.5 t -67.14 -32.35 73.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.45 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.917 ' O ' HG23 ' A' ' 156' ' ' VAL . 29.1 mt -69.44 -43.48 73.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -67.74 -43.9 78.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -59.14 -48.91 79.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.526 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 51.7 t-105 -61.99 -45.63 92.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 152' ' ' LEU . 24.3 t -47.25 -43.55 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -68.28 -35.95 78.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 154' ' ' ALA . 75.7 t -63.56 -39.87 86.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.978 HG13 ' HB2' ' A' ' 163' ' ' ALA . 93.4 t -59.87 -46.42 93.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -58.36 -33.55 69.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.253 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.78 -44.4 77.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 163' ' ' ALA . 2.7 mttp 172.42 73.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.978 ' HB2' HG13 ' A' ' 159' ' ' VAL . . . -37.69 -49.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 164' ' ' PHE . 11.5 p90 -107.61 127.99 54.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.529 ' N ' ' CG1' ' A' ' 168' ' ' VAL . 0.0 OUTLIER 170.41 166.38 0.2 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -17.73 19.49 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.416 ' C ' ' HD2' ' A' ' 170' ' ' PRO . 73.8 mt-10 -92.06 -17.66 24.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 165' ' ' SER . 13.8 p -97.09 -34.22 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.701 HG13 HG21 ' A' ' 274' ' ' VAL . 0.8 OUTLIER -48.35 -48.45 66.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.02 -35.15 3.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.459 ' SD ' HG11 ' A' ' 158' ' ' VAL . 0.1 OUTLIER -61.97 -31.85 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.725 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 5.7 t80 -72.36 -44.41 62.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -31.53 65.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.48 -45.27 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.507 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -72.14 -9.92 59.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.555 ' OG ' HD21 ' A' ' 184' ' ' LEU . 12.5 t -111.4 14.01 21.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.71 122.02 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.65 56.6 1.62 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.992 ' HB1' ' OD2' ' A' ' 183' ' ' ASP . . . -103.67 -175.6 2.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.948 HG21 HD11 ' A' ' 247' ' ' ILE . 0.7 OUTLIER -113.69 178.39 0.98 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 110.401 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.517 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.0 Cg_endo -75.06 -37.75 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.408 ' CB ' HD23 ' A' ' 243' ' ' LEU . 50.8 tp60 -70.45 -58.47 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.992 ' OD2' ' HB1' ' A' ' 179' ' ' ALA . 0.0 OUTLIER -48.83 -46.2 41.65 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 1.182 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.555 HD21 ' OG ' ' A' ' 176' ' ' SER . 55.1 mt -60.48 -43.42 96.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.222 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -33.04 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.779 ' CG2' HD21 ' A' ' 152' ' ' LEU . 0.4 OUTLIER -66.7 -47.85 71.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.458 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.526 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -62.3 -45.24 94.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.612 HD22 ' CE ' ' A' ' 198' ' ' MET . 13.8 mt -64.49 -22.01 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -75.73 -47.5 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 15.3 t -78.13 -1.01 30.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.444 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.756 HG11 ' HE2' ' A' ' 198' ' ' MET . 0.5 OUTLIER -59.96 -176.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.267 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.687 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -170.76 55.85 0.19 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 193' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -108.46 27.89 12.81 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.431 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 2.0 t-160 83.77 132.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.596 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -59.13 -37.99 78.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.7 -49.17 75.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.395 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.05 -50.0 75.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.756 ' HE2' HG11 ' A' ' 191' ' ' VAL . 0.1 OUTLIER -57.96 -33.33 68.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.6 -54.41 43.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 70.4 mtm -59.74 -46.48 89.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.752 ' HB2' HD11 ' A' ' 273' ' ' ILE . 2.2 tp -59.78 -37.01 77.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -67.36 -38.34 84.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.75 -45.6 78.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.219 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.24 -47.21 77.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.88 HD11 ' HA ' ' A' ' 266' ' ' ILE . 14.9 mt -59.92 -52.94 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -58.27 -41.07 83.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.64 -29.61 70.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 208' ' ' GLU . . . . . 0.575 ' OE1' HD22 ' A' ' 268' ' ' LEU . 0.8 OUTLIER -62.47 -44.81 95.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.677 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -62.73 -49.83 73.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.59 -47.92 75.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -40.19 94.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 212' ' ' TRP . . . . . 0.617 ' CE3' HD11 ' A' ' 215' ' ' LEU . 42.9 t-105 -58.94 -59.41 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 108.06 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -56.32 -33.36 65.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -59.69 -41.91 91.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 215' ' ' LEU . . . . . 0.617 HD11 ' CE3' ' A' ' 212' ' ' TRP . 2.7 pp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 231' ' ' PRO . . . . . 0.468 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.0 Cg_endo -75.04 147.2 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.769 . . . . 0.0 110.968 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.14 -178.71 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.677 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -56.63 -38.46 81.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 234' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 239' ' ' THR . 0.2 OUTLIER -60.01 -39.11 84.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 110.001 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 235' ' ' ASP . . . . . 0.468 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.5 OUTLIER -65.3 -36.17 83.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.665 HD13 HG21 ' A' ' 261' ' ' ILE . 19.5 mt -60.48 -30.72 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.95 -22.94 62.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.44 21.49 26.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 239' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 234' ' ' SER . 5.7 t -83.97 -38.35 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 110.489 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 37.7 m -105.92 -2.25 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 21.6 t -136.98 136.23 38.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 242' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 245' ' ' GLU . 1.6 t -80.67 -177.77 6.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.752 ' CD1' HD13 ' A' ' 247' ' ' ILE . 3.3 tm? -67.07 -59.69 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.61 -45.58 27.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 245' ' ' GLU . . . . . 0.412 ' H ' HG22 ' A' ' 242' ' ' THR . 4.8 mm-40 -61.67 -37.12 82.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -69.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.948 HD11 HG21 ' A' ' 180' ' ' THR . 1.0 OUTLIER -46.59 -39.43 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -59.99 -51.75 57.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 249' ' ' TRP . . . . . 0.664 ' CD1' HD13 ' A' ' 256' ' ' ILE . 0.7 OUTLIER -63.52 -31.35 72.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 250' ' ' MET . . . . . 0.5 ' HE1' ' HB ' ' A' ' 180' ' ' THR . 0.2 OUTLIER -67.31 -24.16 65.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 251' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 247' ' ' ILE . 8.6 t -118.16 22.21 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.457 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.434 ' O ' ' CA ' ' A' ' 255' ' ' PRO . 0.3 OUTLIER -99.43 172.39 7.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 109.574 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 1.4 m120 -119.77 115.26 33.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.96 157.87 99.34 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.026 -0.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.434 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.11 123.89 8.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.575 1.829 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 256' ' ' ILE . . . . . 0.664 HD13 ' CD1' ' A' ' 249' ' ' TRP . 3.6 mt -100.25 108.57 53.15 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.81 4.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.558 1.82 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.669 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.5 OUTLIER -61.54 -39.38 82.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.11 86.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -32.09 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 258' ' ' VAL . 17.0 mt -63.3 -45.66 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 262' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 36.2 t80 -64.18 -37.39 87.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.406 ' HE2' ' N ' ' A' ' 264' ' ' ARG . 1.3 ttpt -56.53 -45.5 81.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.406 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 29.6 ttt180 -62.5 -34.32 76.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.541 ' CD1' ' HG2' ' A' ' 208' ' ' GLU . 49.2 m0 -62.09 -47.86 82.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.88 ' HA ' HD11 ' A' ' 205' ' ' ILE . 63.4 mt -57.35 -45.8 85.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -34.2 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 268' ' ' LEU . . . . . 0.575 HD22 ' OE1' ' A' ' 208' ' ' GLU . 0.0 OUTLIER -58.79 -54.56 45.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.729 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.15 -59.31 9.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.44 1.087 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.924 ' O ' HG23 ' A' ' 274' ' ' VAL . 11.6 mt -44.62 -33.14 1.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -63.62 -45.78 88.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 269' ' ' GLY . 3.3 mmtt -69.09 -37.32 78.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 0.752 HD11 ' HB2' ' A' ' 201' ' ' LEU . 41.5 mt -64.64 -40.88 90.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.24 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 270' ' ' LEU . 57.1 t -73.55 -37.54 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 -72.71 -16.33 61.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -91.86 -37.95 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 0.539 ' O ' ' CG ' ' A' ' 277' ' ' TYR . 5.6 t80 -91.98 2.99 56.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 1.4 p -79.08 150.17 74.26 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.952 HG11 HG21 ' A' ' 34' ' ' ILE . 2.5 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.616 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.3 mt -106.77 154.31 21.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.065 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.12 179.74 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.18 -58.09 16.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.96 -40.57 20.79 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.01 -38.14 78.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.674 HD21 HD21 ' A' ' 31' ' ' LEU . 4.9 tp -69.27 -43.53 73.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -35.29 66.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' HG12 ' A' ' 19' ' ' ILE . 2.8 mptp? -71.65 -45.32 62.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.387 1.055 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.776 ' CE3' HD12 ' A' ' 85' ' ' LEU . 37.1 t-105 -59.03 -64.89 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -47.45 -24.02 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -92.27 49.37 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.558 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.7 mm -130.58 144.48 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.26 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.52 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.496 0.189 . . . . 0.0 110.971 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.32 173.74 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.674 HD21 HD21 ' A' ' 13' ' ' LEU . 2.6 mm? -61.33 -26.79 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -45.69 92.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -63.99 -35.92 82.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.952 HG21 HG11 ' A' ' 7' ' ' VAL . 4.2 mt -63.79 -50.05 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.02 -44.51 62.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 109.364 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -62.56 -39.58 94.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.001 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.603 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.35 -52.88 63.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -34.78 77.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -60.7 -41.14 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.17 -34.88 79.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.971 ' O ' HG12 ' A' ' 46' ' ' VAL . 86.4 mt -59.61 -49.45 77.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 109.237 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -57.13 -37.18 71.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -35.79 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.81 7.79 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.91 46.15 4.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.971 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.4 p -124.96 150.13 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.92 127.58 91.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -18.96 18.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.82 -10.66 59.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.574 HD12 HD11 ' A' ' 60' ' ' ILE . 25.2 mt -74.06 -27.9 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.63 HD12 ' SG ' ' A' ' 57' ' ' CYS . 8.2 tp -81.43 -15.84 53.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -74.48 -22.06 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.3 p -125.87 157.99 36.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.374 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.499 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 9.8 p -70.09 -31.05 68.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -50.0 72.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.563 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -61.66 -37.13 93.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.63 ' SG ' HD12 ' A' ' 51' ' ' LEU . 1.7 m -64.13 -41.22 97.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.04 -42.18 93.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.88 -38.64 91.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.574 HD11 HD12 ' A' ' 50' ' ' LEU . 1.1 mp -72.71 -73.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.403 1.064 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.574 ' N ' HG22 ' A' ' 60' ' ' ILE . 12.4 tp -41.22 -36.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.95 -48.97 83.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' ILE . 12.1 tt0 -97.41 22.12 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.54 HD23 ' CD2' ' A' ' 79' ' ' TYR . 13.5 tp -107.74 -26.85 10.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.613 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -53.65 -44.83 98.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.99 -40.67 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.827 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.24 -11.69 59.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.936 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.4 mt -70.65 -44.33 67.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -7.36 52.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.827 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.5 t -119.43 -5.94 10.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.706 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -80.62 -98.2 0.35 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 24.4 p 167.34 -176.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.403 0.707 . . . . 0.0 109.95 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.43 -40.82 95.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -71.41 -47.06 58.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 110.242 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.706 HD13 ' CA ' ' A' ' 71' ' ' GLY . 7.9 tt -60.8 -34.42 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.519 ' HA ' HD22 ' A' ' 68' ' ' LEU . 19.9 mtt-85 -61.51 -43.79 98.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 7.3 t -61.18 -30.69 70.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.939 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.688 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -66.17 -47.4 74.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.936 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.5 t80 -58.14 -42.81 86.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -59.18 -31.86 69.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.603 HG21 ' HB2' ' A' ' 37' ' ' ALA . 28.8 m -67.01 -48.12 69.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.515 HD13 HG21 ' A' ' 60' ' ' ILE . 8.8 mt -66.39 -37.96 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.937 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -56.04 -58.36 8.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.651 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.8 t -58.51 -42.06 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.776 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -56.82 -35.48 68.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 25.3 t80 -61.89 -51.98 65.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.442 ' SG ' HD13 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -60.23 -37.87 81.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.413 1.071 . . . . 0.0 108.311 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -62.71 -39.96 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.499 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 2.0 m80 -55.85 -40.13 72.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.627 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.442 ' HB2' ' CD1' ' A' ' 92' ' ' ILE . 2.0 mp0 -88.37 -17.77 29.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.098 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 76.6 39.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.273 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.442 HD13 ' SG ' ' A' ' 87' ' ' CYS . 2.3 mp -75.87 141.2 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.02 92.79 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.422 HG23 ' CD1' ' A' ' 19' ' ' ILE . 17.5 m -111.39 173.67 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 15.2 mttt -142.49 -61.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.19 170.26 9.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.522 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.2 m -60.56 -44.73 95.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -32.4 69.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -34.65 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.842 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -70.49 -39.52 74.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.72 -47.25 80.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.6 -40.55 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -64.2 -61.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.937 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.9 pt -56.48 -27.99 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.567 HG12 HG21 ' A' ' 151' ' ' THR . 1.5 tt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.86 160.48 52.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.417 ' HA ' HD12 ' A' ' 152' ' ' LEU . 18.2 Cg_endo -74.99 -23.16 14.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -64.39 -40.97 96.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.567 HG21 HG12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -67.39 -32.42 73.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.352 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.884 ' O ' HG23 ' A' ' 156' ' ' VAL . 16.8 mt -72.19 -42.49 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.0 -30.9 69.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.81 -49.62 72.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.521 ' O ' HG23 ' A' ' 159' ' ' VAL . 13.1 t90 -67.5 -48.4 67.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 107.954 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 152' ' ' LEU . 43.9 t -44.46 -43.36 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -63.9 -40.02 95.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 155' ' ' TRP . 5.9 t -63.72 -44.89 98.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.591 HG11 ' N ' ' A' ' 192' ' ' GLY . 23.7 t -55.06 -29.57 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -77.78 -33.8 52.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.77 -78.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 26.9 mmtt -69.84 -71.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.89 -48.27 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.64 ' CE2' ' HB1' ' A' ' 163' ' ' ALA . 0.7 OUTLIER -159.33 129.94 5.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.041 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.535 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER 177.46 170.82 0.42 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.012 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -18.59 18.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -94.76 0.93 55.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -103.6 -34.6 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.4 mm -55.5 -44.91 99.89 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.02 -35.49 3.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.11 -39.8 93.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.409 1.068 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.712 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 32.9 t80 -61.17 -44.28 97.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -34.42 76.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.69 91.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.566 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -76.78 -14.1 59.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.64 ' OG ' HD21 ' A' ' 184' ' ' LEU . 17.8 t -107.63 13.74 26.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -40.3 104.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 41.93 71.23 0.38 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.1 -176.32 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.235 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.902 HG21 HD11 ' A' ' 247' ' ' ILE . 0.7 OUTLIER -112.51 -172.06 0.22 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.595 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.03 -41.83 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.449 1.763 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -65.25 -63.47 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.491 ' OD2' HD12 ' A' ' 147' ' ' ILE . 0.0 OUTLIER -47.6 -47.51 28.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.64 HD21 ' OG ' ' A' ' 176' ' ' SER . 54.9 mt -60.75 -41.61 95.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.229 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -42.41 72.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.722 ' CG2' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -71.25 -35.72 71.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.409 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.506 ' HE2' ' CE1' ' A' ' 172' ' ' PHE . 0.7 OUTLIER -61.43 -45.49 94.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.477 HD11 HG21 ' A' ' 266' ' ' ILE . 1.0 OUTLIER -80.2 -10.8 59.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -83.58 -23.93 31.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.386 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.617 ' O ' HG22 ' A' ' 156' ' ' VAL . 4.9 t -97.21 -18.94 18.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.863 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.6 OUTLIER -51.12 -178.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.591 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -165.89 56.48 0.25 Allowed Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.547 1.155 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 193' ' ' GLY . . . . . 0.563 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -105.4 26.45 21.59 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 0.3 OUTLIER 81.61 139.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 0.73 . . . . 0.0 109.544 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -64.13 -38.09 89.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -58.03 -49.48 76.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.418 1.074 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.31 -49.04 79.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.231 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.863 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.07 -37.5 74.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -57.83 -54.58 45.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -60.02 -29.15 68.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 1.008 HD13 HD11 ' A' ' 273' ' ' ILE . 0.8 OUTLIER -65.55 -36.68 84.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.239 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 202' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 0.0 OUTLIER -68.74 -30.26 68.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 203' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 11.0 tt0 -67.17 -47.05 72.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.78 -48.88 34.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.471 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.882 HD11 ' HA ' ' A' ' 266' ' ' ILE . 19.9 mt -58.74 -55.52 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 206' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 24.1 t-20 -58.4 -37.94 76.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 207' ' ' GLU . . . . . 0.414 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 1.0 OUTLIER -65.73 -29.73 70.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 208' ' ' GLU . . . . . 0.462 ' HB3' ' CE2' ' A' ' 265' ' ' TRP . 0.0 OUTLIER -67.35 -34.46 77.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.608 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -69.3 -50.05 50.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.01 75.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.46 -36.27 82.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.23 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -58.99 -62.54 1.81 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.573 1.171 . . . . 0.0 107.99 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.17 -33.53 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -38.52 83.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 215' ' ' LEU . . . . . 0.579 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.8 pp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 231' ' ' PRO . . . . . 0.438 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.5 Cg_endo -74.94 148.96 36.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.85 172.39 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.608 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -48.64 -38.28 21.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.393 1.058 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 234' ' ' SER . . . . . 0.432 ' O ' HG22 ' A' ' 239' ' ' THR . 72.6 m -62.46 -46.83 86.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 235' ' ' ASP . . . . . 0.72 ' HA ' HG22 ' A' ' 240' ' ' THR . 0.9 OUTLIER -59.9 -35.35 74.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.67 ' HA ' HG22 ' A' ' 258' ' ' VAL . 46.8 mt -60.16 -34.56 57.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.6 -6.42 40.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 238' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 181' ' ' PRO . . . 65.52 26.2 71.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 239' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 234' ' ' SER . 14.7 t -90.49 -37.6 13.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 110.341 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 240' ' ' THR . . . . . 0.72 HG22 ' HA ' ' A' ' 235' ' ' ASP . 11.5 t -104.67 -1.18 26.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 80.8 p -125.82 133.81 51.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.79 159.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.533 ' C ' HD13 ' A' ' 243' ' ' LEU . 1.3 tm? -70.14 -38.21 75.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.52 -34.66 67.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.083 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -40.28 94.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -66.02 -59.16 4.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.902 HD11 HG21 ' A' ' 180' ' ' THR . 0.7 OUTLIER -47.7 -39.88 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.94 -47.78 89.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 249' ' ' TRP . . . . . 0.441 ' CD1' HD13 ' A' ' 256' ' ' ILE . 0.6 OUTLIER -65.32 -32.01 73.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 14.8 mtm -65.6 -26.47 67.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 11.4 t -118.14 22.11 12.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.423 ' O ' ' CA ' ' A' ' 255' ' ' PRO . 37.9 t-80 -90.24 173.73 7.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.501 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 31.3 m120 -122.04 112.59 31.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.95 158.8 98.76 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.988 0.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.423 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.09 119.87 5.8 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 256' ' ' ILE . . . . . 0.441 HD13 ' CD1' ' A' ' 249' ' ' TRP . 4.5 mt -92.86 114.84 63.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.462 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.4 Cg_endo -74.97 55.81 4.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 236' ' ' ILE . 0.3 OUTLIER -61.9 -48.91 86.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 259' ' ' GLY . . . . . 0.489 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -61.38 -41.6 99.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.571 1.169 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -32.31 73.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.247 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' ' 257' ' ' PRO . 17.9 mt -69.68 -43.45 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -66.86 -48.62 68.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.707 ' HA ' HD12 ' A' ' 266' ' ' ILE . 0.0 OUTLIER -56.44 -36.16 68.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -64.93 -33.99 77.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.288 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.462 ' CE2' ' HB3' ' A' ' 208' ' ' GLU . 53.9 m0 -61.96 -44.08 97.49 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.89 HG22 HD11 ' A' ' 270' ' ' LEU . 26.5 mt -57.39 -45.39 85.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -31.69 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -56.22 24.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.515 ' C ' HD11 ' A' ' 201' ' ' LEU . . . -62.3 -57.47 16.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.571 1.17 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.89 HD11 HG22 ' A' ' 266' ' ' ILE . 11.7 mt -45.51 -35.81 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -63.47 -41.02 98.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.4 OUTLIER -68.77 -39.18 80.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 1.008 HD11 HD13 ' A' ' 201' ' ' LEU . 32.1 mt -59.45 -45.93 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 270' ' ' LEU . 94.2 t -64.77 -46.06 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -16.32 13.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.69 -37.92 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -95.31 18.16 13.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.98 150.16 92.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.101 HG11 HG21 ' A' ' 34' ' ' ILE . 35.6 t . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.613 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.0 mt -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.48 179.56 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.79 -58.19 15.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.54 -40.57 27.12 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.85 -42.63 89.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.681 HD11 HD13 ' A' ' 31' ' ' LEU . 7.6 tp -64.5 -43.64 93.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -56.04 -32.03 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -45.03 33.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.95 ' CE3' HD12 ' A' ' 85' ' ' LEU . 23.5 t-105 -57.03 -61.74 2.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.96 -21.07 42.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.506 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 6.5 tttt -88.49 43.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.96 HD13 ' CG1' ' A' ' 84' ' ' VAL . 40.2 mt -139.0 127.01 27.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 96' ' ' ASP . 5.9 ttt-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.454 0.168 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.21 173.98 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.681 HD13 HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -60.8 -28.86 69.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -62.05 -44.03 97.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.378 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -63.28 -36.95 85.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.597 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.101 HG21 HG11 ' A' ' 7' ' ' VAL . 4.6 mt -62.71 -50.81 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.417 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.25 -44.6 65.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -62.39 -39.91 94.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.46 -50.4 74.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 41' ' ' LEU . 9.4 p -58.11 -34.86 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.61 -40.84 93.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.359 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.68 -34.68 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 110.306 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.959 ' O ' HG12 ' A' ' 46' ' ' VAL . 95.9 mt -57.77 -50.02 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.41 -41.52 85.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -36.75 75.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.555 ' HZ ' ' HG ' ' A' ' 67' ' ' SER . 24.1 t80 -76.12 0.46 18.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 69.89 44.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.959 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.1 p -124.99 149.95 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.89 132.68 94.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -18.85 18.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.35 -11.55 56.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 27.8 mt -71.17 -39.08 72.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.638 HD11 HD22 ' A' ' 85' ' ' LEU . 8.8 tp -70.43 -7.6 44.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -21.8 31.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.7 p -125.61 156.1 39.71 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.414 1.071 . . . . 0.0 110.391 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.451 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 87.9 p -66.55 -33.08 74.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 3.2 mt-10 -66.32 -36.51 83.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.6 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -73.84 -35.98 53.54 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.421 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -64.55 -44.88 89.38 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.484 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 9.6 ptt180 -68.27 -31.73 71.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -45.22 94.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.847 HG12 HD22 ' A' ' 41' ' ' LEU . 1.8 mp -67.6 -69.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.622 HD11 ' CE1' ' A' ' 79' ' ' TYR . 11.7 tp -40.54 -34.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.63 -48.87 78.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.2 OUTLIER -96.76 22.56 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 110.356 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.553 HD23 ' CD2' ' A' ' 79' ' ' TYR . 18.0 tp -110.32 -27.01 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.611 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 tm0? -53.08 -45.14 98.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.93 -39.92 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.827 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.36 -12.63 61.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.972 HD11 ' CG ' ' A' ' 79' ' ' TYR . 7.4 mt -71.09 -43.82 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.492 ' NE2' ' HA ' ' A' ' 66' ' ' PRO . 1.9 pt20 -74.57 -6.4 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.827 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.86 -4.47 9.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.551 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -82.83 -101.05 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 14.8 p 169.11 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 110.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -41.52 86.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -45.7 62.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.551 HD13 ' HA2' ' A' ' 71' ' ' GLY . 5.9 tt -59.7 -34.05 72.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.518 ' HA ' HD22 ' A' ' 68' ' ' LEU . 32.9 ttt180 -61.11 -48.59 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.29 -36.43 66.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.638 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -60.18 -47.4 86.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.972 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.4 t80 -63.52 -43.28 97.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.67 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.3 t-20 -55.96 -33.12 64.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.791 HG23 ' CH2' ' A' ' 16' ' ' TRP . 3.2 m -70.58 -44.88 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.473 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.498 HG22 ' HB2' ' A' ' 61' ' ' LEU . 11.6 mt -65.56 -36.11 76.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.936 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -60.61 -54.92 39.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.96 ' CG1' HD13 ' A' ' 19' ' ' ILE . 21.1 t -58.74 -45.48 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.23 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.95 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -55.72 -45.71 77.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 58' ' ' ARG . 39.3 t80 -60.42 -37.08 79.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.551 ' HA ' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -68.37 -33.24 73.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.35 1.031 . . . . 0.0 108.321 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 84' ' ' VAL . 55.9 t -66.21 -32.82 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.451 ' CD2' ' HA ' ' A' ' 54' ' ' SER . 3.3 m-70 -67.97 -40.53 83.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.626 ' CB ' HD11 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -85.31 -14.07 47.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.7 mtt85 64.49 46.89 3.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.6 mp -83.62 141.5 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.43 105.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.472 HG11 ' SG ' ' A' ' 87' ' ' CYS . 23.7 m -134.47 173.0 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -144.42 -52.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 3.3 p-10 -113.54 170.64 8.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.67 HG22 ' CG ' ' A' ' 80' ' ' ASN . 25.2 m -60.58 -44.58 96.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.444 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -62.54 -31.58 72.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.419 ' HA ' ' OE1' ' A' ' 99' ' ' GLU . 7.0 tp10 -63.15 -36.8 84.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.871 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.12 -36.87 77.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.626 HD13 ' OD1' ' A' ' 80' ' ' ASN . 1.3 mp -55.78 -48.03 76.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.66 -43.46 63.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -61.04 2.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.936 HD13 ' HB1' ' A' ' 83' ' ' ALA . 2.8 pt -56.03 -27.81 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.236 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.553 HG12 HG21 ' A' ' 151' ' ' THR . 1.4 tt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.14 160.17 52.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.993 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -21.97 15.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -65.92 -37.82 87.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.553 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -66.42 -38.54 87.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.401 1.063 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.971 ' O ' HG23 ' A' ' 156' ' ' VAL . 20.2 mt -59.87 -42.38 93.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -66.92 -42.25 85.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -58.73 -49.13 78.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.6 ' CE2' ' CG2' ' A' ' 159' ' ' VAL . 29.3 t-105 -61.96 -46.85 87.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 108.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.971 HG23 ' O ' ' A' ' 152' ' ' LEU . 46.2 t -45.35 -42.44 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -68.2 -36.4 79.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 155' ' ' TRP . 79.6 t -63.33 -45.38 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.612 HG13 ' HB2' ' A' ' 163' ' ' ALA . 68.9 t -61.94 -46.89 95.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -16.34 63.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -81.31 -52.33 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.657 ' O ' HG21 ' A' ' 168' ' ' VAL . 3.8 mttt -165.22 59.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.709 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -40.57 -45.79 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.473 ' O ' ' CD2' ' A' ' 164' ' ' PHE . 11.9 p90 -110.63 104.53 13.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.631 ' O ' HG12 ' A' ' 168' ' ' VAL . 49.2 p -179.29 163.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' PRO . . . . . 0.478 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.2 Cg_endo -75.07 -16.75 19.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -95.06 4.8 53.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.709 HG11 ' O ' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -111.31 -32.48 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.641 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 15.3 mm -57.03 -43.86 99.54 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.1 -35.21 3.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -46.0 91.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.477 ' HB2' ' CH2' ' A' ' 155' ' ' TRP . 78.6 t80 -62.08 -44.38 96.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 51.8 p -60.84 -34.53 74.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.44 92.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.225 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.567 ' HB3' ' HE1' ' A' ' 187' ' ' MET . 0.1 OUTLIER -74.43 -10.51 59.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.912 ' HB2' HD21 ' A' ' 184' ' ' LEU . 15.3 p -98.56 14.18 29.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.951 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.02 104.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.37 66.28 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -104.01 -174.3 2.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.341 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.913 HG21 HD11 ' A' ' 247' ' ' ILE . 0.6 OUTLIER -113.51 -172.22 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.661 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.4 Cg_endo -74.99 -39.26 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -68.32 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.503 ' OD2' HD12 ' A' ' 147' ' ' ILE . 0.0 OUTLIER -45.1 -46.35 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.912 HD21 ' HB2' ' A' ' 176' ' ' SER . 41.9 mt -62.75 -45.9 90.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -55.24 -36.1 65.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.858 HG22 HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -61.46 -47.15 87.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.346 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.567 ' HE1' ' HB3' ' A' ' 175' ' ' LEU . 1.5 ttp -63.9 -45.64 88.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.488 HD11 HG12 ' A' ' 266' ' ' ILE . 13.0 mt -64.79 -25.47 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -70.67 -48.53 54.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.427 ' CG2' HD22 ' A' ' 152' ' ' LEU . 2.5 t -76.86 -3.16 37.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.456 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.542 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -52.41 -175.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.504 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -168.24 59.45 0.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.4 1.062 . . . . 0.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 193' ' ' GLY . . . . . 0.635 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -116.97 33.14 5.18 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.3 t60 78.78 136.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.603 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -59.93 -38.05 81.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.3 76.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.22 -49.71 76.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.238 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.542 ' CE ' HG11 ' A' ' 191' ' ' VAL . 1.3 mmt -57.91 -33.74 69.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -68.63 -54.58 15.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 10.5 tmm? -59.04 -36.6 75.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.632 HD13 ' HA3' ' A' ' 269' ' ' GLY . 28.6 tp -61.36 -34.93 76.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -67.58 -32.54 73.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.05 -46.38 74.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -48.91 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.365 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.646 HD11 ' HA ' ' A' ' 266' ' ' ILE . 10.1 mt -58.87 -54.93 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -57.96 -37.12 73.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -67.05 -29.6 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.74 -43.72 83.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.6 ' HB1' ' HA3' ' A' ' 233' ' ' GLY . . . -60.39 -50.1 74.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.02 75.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -34.33 76.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 212' ' ' TRP . . . . . 0.556 ' CE3' HD11 ' A' ' 215' ' ' LEU . 57.3 t-105 -57.61 -56.13 25.86 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.29 -33.54 65.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.158 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -37.86 85.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.235 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 215' ' ' LEU . . . . . 0.589 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.9 pp . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 231' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 149.38 36.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -85.97 177.76 7.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.6 ' HA3' ' HB1' ' A' ' 209' ' ' ALA . . . -55.44 -38.27 69.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 1.5 m -64.87 -40.52 95.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 0.743 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -41.77 90.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.946 HG12 HG22 ' A' ' 258' ' ' VAL . 14.5 mt -60.61 -31.06 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.98 -8.14 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.24 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 74.46 24.37 73.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.592 1.182 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.46 -38.33 13.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 240' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 240' ' ' THR . 11.0 m -104.46 -0.07 28.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 1.2 t -138.44 143.24 39.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 242' ' ' THR . . . . . 0.417 HG22 ' HB2' ' A' ' 245' ' ' GLU . 0.6 OUTLIER -72.21 175.03 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.702 HD13 HG12 ' A' ' 247' ' ' ILE . 3.0 tm? -67.07 -59.98 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -50.11 -25.13 3.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 245' ' ' GLU . . . . . 0.417 ' HB2' HG22 ' A' ' 242' ' ' THR . 3.2 mt-10 -69.89 -49.33 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 246' ' ' GLN . . . . . 0.574 ' HB3' HG11 ' A' ' 258' ' ' VAL . 2.7 mm-40 -70.09 -36.75 75.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.913 HD11 HG21 ' A' ' 180' ' ' THR . 28.5 mm -52.8 -56.73 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 248' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.59 -47.71 89.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 249' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -31.3 63.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 5.2 ttm -66.22 -39.89 89.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 251' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 251' ' ' THR . 30.6 m -110.6 22.95 14.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.168 . . . . 0.0 110.382 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 255' ' ' PRO . 54.6 t-80 -78.05 169.95 17.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.641 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.448 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 0.9 OUTLIER -121.95 110.63 32.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.1 Cg_endo -75.0 159.84 97.43 Favored 'Cis proline' 0 C--N 1.361 1.226 0 C-N-CA 120.97 -2.512 . . . . 0.0 110.949 0.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -75.04 123.98 8.26 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 5.7 mt -93.06 130.16 37.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.48 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.2 Cg_endo -74.93 54.86 3.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.546 1.814 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.946 HG22 HG12 ' A' ' 236' ' ' ILE . 1.4 t -62.27 -59.74 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 259' ' ' GLY . . . . . 0.452 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.77 -38.17 95.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.091 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -35.3 75.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 236' ' ' ILE . 13.6 mt -63.78 -45.87 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 262' ' ' TYR . . . . . 0.661 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 19.8 t80 -69.08 -44.54 72.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.28 -42.54 77.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.444 ' NH2' HG21 ' A' ' 267' ' ' ILE . 0.0 OUTLIER -62.4 -33.66 75.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -63.02 -48.23 79.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.965 HG22 ' CD1' ' A' ' 270' ' ' LEU . 54.6 mt -58.0 -48.41 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.444 HG21 ' NH2' ' A' ' 264' ' ' ARG . 0.4 OUTLIER -60.53 -32.62 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -57.87 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.632 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -63.61 -58.75 10.2 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.965 ' CD1' HG22 ' A' ' 266' ' ' ILE . 14.3 mt -43.84 -35.89 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -46.57 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 269' ' ' GLY . 2.3 mptm? -66.25 -37.38 85.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 270' ' ' LEU . 31.2 mt -63.61 -43.48 98.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 270' ' ' LEU . 80.2 t -61.76 -46.18 97.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -64.48 -16.4 62.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.78 -38.06 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.83 15.4 23.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.07 152.32 55.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.184 0 O-C-N 124.398 1.736 . . . . 0.0 111.047 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.016 HG11 HG21 ' A' ' 34' ' ' ILE . 2.9 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.557 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.2 mt -108.22 156.77 18.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.237 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -88.26 179.82 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.941 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.4 -57.55 19.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.423 1.077 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.88 -40.74 24.97 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.8 -40.66 84.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.559 HD11 HD13 ' A' ' 31' ' ' LEU . 21.2 tp -67.54 -39.78 85.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 92.1 m-20 -56.07 -31.9 63.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.46 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -76.96 -44.7 30.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.799 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 67.0 t-105 -55.98 -60.58 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 107.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.86 -22.54 59.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -91.43 39.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.833 HD13 HG13 ' A' ' 84' ' ' VAL . 54.7 mt -141.58 139.62 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.253 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.799 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.592 0.234 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -142.39 168.18 20.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.559 HD13 HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -61.05 -28.1 68.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -61.76 -45.12 95.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -63.05 -36.06 82.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.589 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.016 HG21 HG11 ' A' ' 7' ' ' VAL . 4.4 mt -63.52 -50.12 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.366 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.31 -44.59 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 43.0 t90 -62.79 -39.75 95.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 108.009 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.616 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -58.95 -52.97 63.48 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -34.93 77.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -41.13 94.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.493 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 2.9 tt0 -65.25 -34.98 79.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.925 ' O ' HG12 ' A' ' 46' ' ' VAL . 95.9 mt -62.55 -45.78 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.18 -41.21 78.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -25.35 65.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 3.3 m-85 -83.66 10.45 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 60.4 38.18 19.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.925 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.9 p -125.04 150.08 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -64.48 132.13 95.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -18.91 18.4 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.83 -9.73 59.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.517 HD12 HD11 ' A' ' 60' ' ' ILE . 20.6 mt -70.68 -36.14 73.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.345 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 8.8 tp -75.29 -18.77 59.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -22.02 59.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.2 p -125.89 154.27 42.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.447 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 1.4 p -68.53 -30.31 69.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.074 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.0 -48.77 78.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.602 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -63.43 -34.88 91.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.7 m -63.9 -40.85 97.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -59.98 -37.8 80.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -36.89 75.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.602 HD12 ' O ' ' A' ' 56' ' ' GLY . 1.2 mp -74.57 -75.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.626 HD21 HD12 ' A' ' 104' ' ' ILE . 9.2 tp -44.13 -35.06 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.86 -49.0 83.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.39 22.79 10.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.313 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.483 HD23 ' CD2' ' A' ' 79' ' ' TYR . 12.5 tp -107.79 -26.99 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.23 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.612 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 6.1 tm0? -52.85 -45.29 97.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.241 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -75.03 -40.35 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.536 1.809 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.823 ' HA ' HG22 ' A' ' 70' ' ' THR . 63.1 m -68.47 -11.79 60.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.941 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.4 mt -70.98 -44.19 66.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -74.35 -7.12 51.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.823 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.72 -5.55 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.915 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.48 -98.94 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 20.9 p 167.43 -175.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 0.74 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -61.21 -40.95 95.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -47.07 57.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.388 1.055 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.915 HD13 ' CA ' ' A' ' 71' ' ' GLY . 6.0 tt -60.64 -34.32 74.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.548 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.57 -42.79 99.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.47 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 38.5 t -62.18 -30.46 71.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -66.19 -42.54 88.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.608 1.193 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.941 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.6 t80 -64.59 -43.26 94.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.826 HD22 HG21 ' A' ' 97' ' ' THR . 0.3 OUTLIER -59.11 -26.43 64.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.616 HG21 ' HB2' ' A' ' 37' ' ' ALA . 47.9 m -71.75 -48.46 46.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.442 HG22 ' HB2' ' A' ' 61' ' ' LEU . 3.3 mt -69.24 -33.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.804 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -56.97 -60.82 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.833 HG13 HD13 ' A' ' 19' ' ' ILE . 2.7 t -58.1 -41.31 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.587 ' CD1' ' CE3' ' A' ' 16' ' ' TRP . 1.1 mp -56.62 -38.45 72.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -59.86 -48.35 82.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.8 OUTLIER -63.96 -40.0 95.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.46 HG22 ' HB3' ' A' ' 15' ' ' LYS . 17.3 t -60.86 -39.85 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.447 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 1.3 m80 -57.26 -40.2 77.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.601 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.449 ' HB2' ' CD1' ' A' ' 92' ' ' ILE . 0.4 OUTLIER -91.06 -9.79 44.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.9 OUTLIER 65.92 43.39 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 90' ' ' GLN . 2.1 mp -75.92 140.92 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -63.28 89.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.3 m -116.71 173.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -143.91 -47.24 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.441 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -128.33 170.21 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.826 HG21 HD22 ' A' ' 80' ' ' ASN . 5.7 m -59.87 -44.69 94.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.441 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 6.0 tmtm? -54.61 -32.15 58.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.382 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.403 ' HA ' ' OE1' ' A' ' 99' ' ' GLU . 6.6 tp10 -68.95 -40.36 78.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.8 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -70.62 -39.29 73.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 2.7 mp -56.02 -46.73 78.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -72.28 -44.68 62.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.58 -62.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.804 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pt -55.74 -28.26 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 3.3 tt0 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.746 HD12 ' OD1' ' A' ' 183' ' ' ASP . 1.2 tt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.07 160.55 51.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 109.962 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -22.9 14.45 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.441 1.759 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -37.47 86.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.597 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -68.67 -38.66 80.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.448 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.96 ' O ' HG23 ' A' ' 156' ' ' VAL . 21.6 mt -61.72 -41.59 97.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.59 -37.91 85.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -64.13 -48.96 74.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.614 ' CZ3' HG11 ' A' ' 158' ' ' VAL . 61.5 t-105 -62.05 -43.4 98.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 152' ' ' LEU . 39.3 t -46.04 -43.32 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.368 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -70.17 -33.87 72.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.133 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.614 HG11 ' CZ3' ' A' ' 155' ' ' TRP . 97.3 t -63.61 -42.34 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.825 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 40.8 t -77.62 -31.79 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.083 . . . . 0.0 109.357 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.04 -35.09 79.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -90.05 -60.07 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.678 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 9.1 mmtt -82.56 -79.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.825 ' HB2' ' O ' ' A' ' 159' ' ' VAL . . . 85.03 -47.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.559 ' O ' ' CG ' ' A' ' 164' ' ' PHE . 1.9 p90 -155.39 61.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.467 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -116.94 168.42 8.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.35 18.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.552 1.817 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.52 0.55 56.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.517 ' CG2' HG12 ' A' ' 158' ' ' VAL . 0.3 OUTLIER -103.57 -34.32 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 27.3 mm -53.66 -45.26 98.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.12 -37.06 2.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -33.54 74.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.721 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 2.5 t80 -61.81 -39.44 91.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 3.9 t -74.62 -27.09 60.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.4 -45.95 61.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.577 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.27 -27.42 53.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.454 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 4.1 p -100.77 13.82 33.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.35 105.97 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 45.42 67.85 1.14 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.33 -176.62 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 0.0 109.246 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.831 HG21 HD11 ' A' ' 247' ' ' ILE . 1.3 p -109.68 -175.91 0.37 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.2 Cg_endo -75.02 -39.62 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -31.07 69.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.746 ' OD1' HD12 ' A' ' 147' ' ' ILE . 5.9 t0 -80.83 -48.83 11.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 180' ' ' THR . 8.7 mt -61.82 -34.18 75.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.227 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -71.5 -31.84 67.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.787 HG22 HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -68.61 -48.45 64.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.601 ' O ' HG22 ' A' ' 190' ' ' THR . 1.8 ppp? -69.79 -32.93 71.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.664 HD22 ' CE ' ' A' ' 198' ' ' MET . 10.4 mt -74.28 -32.68 63.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 189' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 189' ' ' ASN . 38.3 t-20 -68.7 -30.24 68.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 187' ' ' MET . 1.8 t -87.85 -13.66 41.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.901 HG11 ' HE1' ' A' ' 198' ' ' MET . 0.6 OUTLIER -51.65 -177.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.515 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -167.37 57.05 0.23 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 193' ' ' GLY . . . . . 0.664 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -109.33 28.26 11.22 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 79.58 136.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.59 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -57.92 -38.05 75.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.33 76.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.17 -49.67 76.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.901 ' HE1' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.9 -34.44 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -69.71 -54.56 13.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -58.74 -30.26 67.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.581 HD13 ' HA3' ' A' ' 269' ' ' GLY . 16.8 tp -65.71 -42.84 90.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -60.9 -29.57 69.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.73 -46.32 75.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.51 -48.02 61.9 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 1.13 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.731 HD11 ' HA ' ' A' ' 266' ' ' ILE . 18.4 mt -58.3 -55.54 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -58.2 -37.4 74.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.293 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -65.81 -29.73 70.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.231 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 208' ' ' GLU . . . . . 0.561 ' OE1' HD22 ' A' ' 268' ' ' LEU . 0.3 OUTLIER -68.01 -40.2 83.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.533 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -65.57 -50.12 66.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.89 76.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.48 -40.11 96.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -57.73 -61.27 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 108.008 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.24 -34.51 66.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -60.35 -41.8 94.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 110.353 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 215' ' ' LEU . . . . . 0.571 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.9 pp . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 231' ' ' PRO . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 249' ' ' TRP . 18.2 Cg_endo -75.03 164.14 33.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.526 1.803 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 169.42 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.54 ' HA2' HD12 ' A' ' 236' ' ' ILE . . . -48.72 -37.97 21.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -45.44 93.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 0.757 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 235' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.5 OUTLIER -59.92 -35.81 75.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.599 HG23 HG22 ' A' ' 258' ' ' VAL . 65.6 mt -60.64 -33.22 53.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.28 -22.69 61.93 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 87.46 25.22 33.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.73 -38.24 47.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 25.1 m -118.4 -0.43 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.377 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 241' ' ' SER . . . . . 0.401 ' HA ' ' OE1' ' A' ' 245' ' ' GLU . 1.2 t -112.69 145.24 40.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.43 167.32 13.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.614 HD13 ' CG1' ' A' ' 247' ' ' ILE . 3.0 tm? -58.26 -60.86 3.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -49.36 -22.33 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.221 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 245' ' ' GLU . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 249' ' ' TRP . 0.6 OUTLIER -70.77 -49.33 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -69.82 -38.81 76.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.831 HD11 HG21 ' A' ' 180' ' ' THR . 50.0 mm -55.14 -61.0 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 248' ' ' GLY . . . . . 0.863 ' HA2' HG22 ' A' ' 251' ' ' THR . . . -60.36 -35.87 89.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 249' ' ' TRP . . . . . 0.576 ' CZ2' ' HG3' ' A' ' 231' ' ' PRO . 0.0 OUTLIER -59.53 -33.34 71.26 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.4 mtm -80.11 -26.91 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 251' ' ' THR . . . . . 0.863 HG22 ' HA2' ' A' ' 248' ' ' GLY . 6.7 t -109.74 22.38 15.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.411 1.069 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.475 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 73.2 t60 -91.96 167.4 12.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.475 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 1.3 m120 -121.64 111.14 33.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.327 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -75.0 159.79 97.51 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.062 -2.474 . . . . 0.0 110.977 0.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.97 123.36 7.84 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.535 1.808 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 3.5 mt -96.95 115.59 65.77 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 54.47 3.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.721 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.5 OUTLIER -63.02 -39.81 86.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -62.29 -41.93 99.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.26 -32.33 71.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 258' ' ' VAL . 25.5 mt -64.66 -45.37 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -70.77 -48.86 52.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 266' ' ' ILE . 0.3 OUTLIER -56.14 -35.84 67.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 57.6 ttt180 -67.29 -34.13 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -62.19 -42.26 99.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 107.979 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.962 HG22 HD11 ' A' ' 270' ' ' LEU . 54.5 mt -57.96 -48.25 84.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -32.37 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 268' ' ' LEU . . . . . 0.561 HD22 ' OE1' ' A' ' 208' ' ' GLU . 0.0 OUTLIER -57.89 -58.01 10.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.581 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.63 -59.71 8.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.962 HD11 HG22 ' A' ' 266' ' ' ILE . 12.4 mt -42.87 -35.7 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 0.81 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -62.97 -47.04 84.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 269' ' ' GLY . 23.7 tttt -66.97 -37.4 84.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 0.823 HD12 ' HA ' ' A' ' 270' ' ' LEU . 51.6 mt -58.86 -45.95 91.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.78 -41.99 77.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -63.55 -16.22 60.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.91 -35.28 12.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 0.414 ' CG ' ' CE2' ' A' ' 164' ' ' PHE . 0.1 OUTLIER -99.84 16.53 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.38 153.7 92.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 111.049 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.942 HG11 HG21 ' A' ' 34' ' ' ILE . 3.0 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.625 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.9 mt -99.65 152.39 20.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.07 179.62 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.09 -57.95 16.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.414 1.071 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.05 -41.39 27.37 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.94 -41.29 87.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 110.291 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.75 HD21 HD21 ' A' ' 31' ' ' LEU . 5.3 tp -64.95 -44.11 90.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.489 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -55.91 -31.99 63.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -44.27 38.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.871 ' CE3' HD12 ' A' ' 85' ' ' LEU . 32.9 t-105 -56.79 -61.21 2.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 108.006 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -56.37 -23.46 37.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 8.4 mttt -87.17 45.24 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.766 HD13 HG13 ' A' ' 84' ' ' VAL . 91.0 mt -144.21 138.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.338 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.494 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 1.3 m-85 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.471 0.177 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -142.45 171.36 14.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.75 HD21 HD21 ' A' ' 13' ' ' LEU . 2.4 mm? -61.58 -28.61 69.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -61.68 -46.13 91.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -62.79 -35.71 80.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.942 HG21 HG11 ' A' ' 7' ' ' VAL . 3.7 mt -62.9 -49.57 83.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.55 -42.88 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -62.58 -40.89 98.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.007 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.67 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.08 -52.78 64.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.873 ' HA ' HD12 ' A' ' 41' ' ' LEU . 9.7 p -61.71 -34.78 76.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.64 -40.89 93.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -34.93 79.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.914 ' O ' HG12 ' A' ' 46' ' ' VAL . 31.4 mt -57.88 -50.14 74.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.19 -41.96 80.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.591 1.182 . . . . 0.0 110.277 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -37.75 77.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.44 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 35.5 t80 -75.96 0.47 18.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 67.62 46.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.914 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.1 p -124.97 150.03 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.64 129.8 94.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.9 18.4 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.79 -11.47 57.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.757 HD12 HD11 ' A' ' 60' ' ' ILE . 29.4 mt -72.22 -40.29 67.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.769 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.767 HD11 HD22 ' A' ' 85' ' ' LEU . 10.8 tp -66.59 -14.66 62.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.23 -21.95 55.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.81 150.05 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.445 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.403 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 19.4 p -65.27 -30.75 71.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.965 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.89 -50.1 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.487 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -60.25 -34.78 85.98 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.605 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -63.95 -41.25 97.65 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -60.04 -39.58 86.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -37.46 87.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.647 1.217 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.757 HD11 HD12 ' A' ' 50' ' ' LEU . 1.6 mp -73.55 -74.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.519 ' N ' HG22 ' A' ' 60' ' ' ILE . 14.1 tp -41.78 -39.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.6 -48.8 82.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -94.92 19.92 9.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 0.739 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 79' ' ' TYR . 9.9 tp -103.62 -29.38 11.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.605 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.5 tm0? -52.18 -45.24 94.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.01 -40.03 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.582 1.833 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.815 ' HA ' HG22 ' A' ' 70' ' ' THR . 48.9 m -68.13 -11.52 59.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.897 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.7 mt -70.55 -44.28 67.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -73.87 -7.33 51.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.815 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.74 -5.64 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.574 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.43 -98.56 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 22.2 p 168.99 -177.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 0.764 . . . . 0.0 109.952 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.58 -40.66 95.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -71.14 -47.26 58.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.574 HD13 ' CA ' ' A' ' 71' ' ' GLY . 8.3 tt -60.8 -34.64 74.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.58 ' HA ' HD22 ' A' ' 68' ' ' LEU . 5.2 ttt-85 -61.94 -41.27 97.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.466 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 0.3 OUTLIER -63.38 -30.0 71.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -67.07 -45.94 75.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.897 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.0 t80 -53.56 -44.31 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.605 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 2.3 p30 -65.3 -26.61 68.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.564 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 22.4 m -70.89 -43.93 67.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.605 HG23 ' SG ' ' A' ' 57' ' ' CYS . 42.4 mt -72.35 -42.79 65.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.983 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -49.76 -52.71 29.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.766 HG13 HD13 ' A' ' 19' ' ' ILE . 3.7 t -58.61 -42.75 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.871 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -57.06 -41.2 78.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -59.89 -36.75 77.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.52 ' HA ' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -66.62 -41.62 88.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.8 -32.65 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.403 ' HB3' ' CB ' ' A' ' 54' ' ' SER . 26.1 m170 -65.36 -40.31 93.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 109.584 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.554 ' CB ' HD11 ' A' ' 92' ' ' ILE . 1.1 mt-30 -86.62 -20.32 28.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 87' ' ' CYS . 20.5 ttt180 73.7 36.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.283 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.554 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.8 mt -75.68 141.31 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.158 . . . . 0.0 109.401 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.77 106.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 15.1 m -131.57 172.75 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -145.38 -47.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.9 170.65 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.545 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 55.0 m -60.29 -45.41 93.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.431 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.55 67.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 103' ' ' LYS . 2.0 tp10 -67.75 -32.0 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.848 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.29 -41.35 76.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.583 HD11 ' HE1' ' A' ' 79' ' ' TYR . 1.1 mp -56.73 -45.12 82.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.91 -40.12 65.76 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 109.235 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.489 ' HG2' HG22 ' A' ' 92' ' ' ILE . 3.5 mptt -66.14 -61.23 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.983 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 2.7 pt -55.68 -27.9 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 3.6 mm-40 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.584 HG12 HG21 ' A' ' 151' ' ' THR . 1.1 tt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.83 160.64 52.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.946 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -23.35 13.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.442 1.759 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -37.26 87.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.584 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -70.56 -35.49 73.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.454 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.977 HD21 HG22 ' A' ' 186' ' ' THR . 25.7 mt -64.87 -43.11 94.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -67.75 -45.67 74.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.75 77.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.433 ' O ' ' N ' ' A' ' 158' ' ' VAL . 33.3 t-105 -61.97 -47.12 86.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 152' ' ' LEU . 28.2 t -46.72 -43.64 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -61.25 -37.17 82.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.542 HG11 ' SD ' ' A' ' 171' ' ' MET . 47.8 t -70.05 -37.71 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.524 HG11 ' N ' ' A' ' 192' ' ' GLY . 77.0 t -52.93 -42.72 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.9 -38.56 64.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -40.6 85.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.952 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -179.05 72.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.49 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -38.25 -48.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.668 ' CZ ' ' CD2' ' A' ' 277' ' ' TYR . 3.5 p90 -127.41 146.26 50.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.412 ' N ' HG22 ' A' ' 274' ' ' VAL . 0.0 OUTLIER 170.13 171.64 0.16 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -19.42 17.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.94 5.19 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.952 HG21 ' O ' ' A' ' 162' ' ' LYS . 13.9 t -102.22 -33.64 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.8 mm -52.17 -45.48 93.98 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.2 Cg_endo -75.05 -34.71 3.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.542 ' SD ' HG11 ' A' ' 158' ' ' VAL . 0.0 OUTLIER -61.75 -42.49 99.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.944 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.79 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 24.8 t80 -64.53 -32.42 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 6.8 p -70.56 -26.85 63.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.078 . . . . 0.0 109.952 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.34 -46.14 61.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.412 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.28 -21.5 53.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.577 ' HB2' HD21 ' A' ' 184' ' ' LEU . 9.9 p -106.19 14.13 28.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.942 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.68 99.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.352 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 58.79 63.5 5.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.71 -176.81 3.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.885 HG21 HD11 ' A' ' 247' ' ' ILE . 0.6 OUTLIER -116.44 -173.09 0.24 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 110.425 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.3 Cg_endo -75.01 -42.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -69.86 -39.56 76.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.06 -46.89 61.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 180' ' ' THR . 19.8 mt -60.83 -48.79 80.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -55.07 -37.29 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.977 HG22 HD21 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -61.76 -45.6 93.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.534 ' O ' HG22 ' A' ' 190' ' ' THR . 1.4 ttt -62.6 -45.27 93.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.459 HD22 ' CE ' ' A' ' 198' ' ' MET . 44.3 mt -72.03 -16.51 62.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -78.36 -35.18 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 187' ' ' MET . 7.1 t -86.09 -13.0 48.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.544 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.6 OUTLIER -52.0 -177.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 191' ' ' VAL . . . 165.76 98.09 0.12 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -147.96 -48.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.01 120.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.499 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -57.56 -39.84 77.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.551 1.157 . . . . 0.0 110.234 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.02 -49.34 76.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.36 -49.57 77.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.544 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.9 OUTLIER -57.91 -33.6 68.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -66.35 -53.27 38.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -59.25 -46.28 88.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 0.0 111.049 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.799 ' HB2' HD11 ' A' ' 273' ' ' ILE . 1.5 tp -57.74 -39.28 76.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -41.33 96.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 203' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.5 tt0 -67.09 -37.59 84.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.245 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.18 -42.23 72.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.816 HD11 ' HA ' ' A' ' 266' ' ' ILE . 40.8 mt -66.52 -55.44 18.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -58.39 -42.77 87.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 207' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 38.3 tt0 -66.15 -29.35 69.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -35.05 78.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.566 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -72.91 -50.19 25.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.53 -48.17 75.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.95 -36.27 77.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 212' ' ' TRP . . . . . 0.687 ' CE3' HD11 ' A' ' 215' ' ' LEU . 20.7 t-105 -57.65 -62.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.029 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 213' ' ' ASP . . . . . 0.48 ' OD1' ' CG ' ' A' ' 232' ' ' ARG . 53.6 m-20 -56.43 -32.75 65.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -58.61 -35.98 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 215' ' ' LEU . . . . . 0.687 HD11 ' CE3' ' A' ' 212' ' ' TRP . 3.4 pp . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 231' ' ' PRO . . . . . 0.932 ' HG3' HD13 ' A' ' 256' ' ' ILE . 18.3 Cg_endo -75.06 81.91 2.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 232' ' ' ARG . . . . . 0.48 ' CG ' ' OD1' ' A' ' 213' ' ' ASP . 2.5 mtm105 -86.2 -179.25 6.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.359 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.566 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -67.47 -38.39 90.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 234' ' ' SER . . . . . 0.833 ' O ' HG22 ' A' ' 239' ' ' THR . 5.5 m -72.67 -47.63 45.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 0.727 . . . . 0.0 109.978 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -45.08 95.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.755 HG12 HG22 ' A' ' 258' ' ' VAL . 14.0 mt -60.59 -27.8 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 237' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -73.06 -16.29 61.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.239 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 85.57 22.16 51.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 239' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 234' ' ' SER . 15.4 t -90.66 -33.98 15.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 0.0 110.404 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 93.8 m -104.03 -3.27 24.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.32 153.26 45.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 242' ' ' THR . . . . . 0.56 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.5 OUTLIER -86.34 175.69 8.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.167 . . . . 0.0 110.418 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.681 ' C ' HD13 ' A' ' 243' ' ' LEU . 2.4 tm? -60.16 -62.84 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -47.89 -48.5 31.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 245' ' ' GLU . . . . . 0.433 ' H ' HG22 ' A' ' 242' ' ' THR . 1.1 mm-40 -61.13 -33.96 74.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 246' ' ' GLN . . . . . 0.685 ' HG3' HG11 ' A' ' 258' ' ' VAL . 3.1 tp60 -70.39 -72.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.885 HD11 HG21 ' A' ' 180' ' ' THR . 0.9 OUTLIER -41.36 -34.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -61.19 -48.22 86.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 249' ' ' TRP . . . . . 0.531 ' CZ3' ' CE1' ' A' ' 252' ' ' HIS . 0.7 OUTLIER -67.33 -31.69 72.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 250' ' ' MET . . . . . 0.466 ' CE ' HG13 ' A' ' 247' ' ' ILE . 7.6 mtm -62.17 -26.34 68.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 15.3 t -116.81 22.3 12.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.531 ' CE1' ' CZ3' ' A' ' 249' ' ' TRP . 0.1 OUTLIER -78.56 173.9 11.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.647 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.408 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 43.3 m-20 -122.55 110.56 32.01 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.0 Cg_endo -75.07 159.41 97.99 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.933 0.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.01 119.93 5.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 256' ' ' ILE . . . . . 0.932 HD13 ' HG3' ' A' ' 231' ' ' PRO . 5.8 mt -92.68 133.21 29.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.554 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.3 Cg_endo -74.97 59.93 5.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.755 HG22 HG12 ' A' ' 236' ' ' ILE . 2.6 t -64.36 -68.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 259' ' ' GLY . . . . . 0.444 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.33 -32.7 81.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -69.54 -32.99 72.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.554 HD12 ' O ' ' A' ' 257' ' ' PRO . 8.6 mt -70.6 -39.44 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 262' ' ' TYR . . . . . 0.591 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 1.0 OUTLIER -63.92 -48.66 75.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.084 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -56.3 -33.98 66.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.601 1.188 . . . . 0.0 109.373 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 62.3 mtt-85 -67.22 -34.53 77.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.547 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 47.0 m0 -62.18 -44.09 97.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 107.951 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.828 HG22 HD11 ' A' ' 270' ' ' LEU . 67.4 mt -56.84 -47.47 82.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.43 HG13 HG23 ' A' ' 169' ' ' ILE . 0.5 OUTLIER -60.02 -29.68 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -55.64 25.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.725 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.2 -58.2 13.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.985 ' O ' HG23 ' A' ' 274' ' ' VAL . 12.7 mt -44.03 -35.46 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -63.04 -45.91 90.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.0 OUTLIER -67.84 -37.39 81.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 201' ' ' LEU . 27.5 mt -64.88 -33.43 63.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 270' ' ' LEU . 94.0 t -68.77 -45.66 80.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -16.2 63.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.59 -37.89 12.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 0.668 ' CD2' ' CZ ' ' A' ' 164' ' ' PHE . 20.8 m-85 -101.42 15.54 28.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 111.063 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.98 154.59 80.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 110.975 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.101 HG11 HG21 ' A' ' 34' ' ' ILE . 33.4 t . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.619 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.2 mt -101.44 155.66 17.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.76 179.9 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.084 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.67 -57.8 17.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.11 -40.79 19.5 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.436 ' HG2' HG12 ' A' ' 88' ' ' VAL . 4.4 mt-10 -58.72 -39.89 82.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 0.818 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.72 ' CD1' HD11 ' A' ' 31' ' ' LEU . 4.3 tp -67.92 -44.13 77.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -55.91 -35.83 67.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -44.86 63.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.872 ' CE3' HD12 ' A' ' 85' ' ' LEU . 48.9 t-105 -56.71 -53.03 62.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.43 -23.03 56.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.14 48.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 2.0 mm -129.46 143.29 41.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.283 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.464 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.531 0.205 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -139.91 172.44 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.72 HD11 ' CD1' ' A' ' 13' ' ' LEU . 2.6 mm? -60.96 -27.73 68.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -61.87 -45.02 95.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.38 -36.05 82.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.101 HG21 HG11 ' A' ' 7' ' ' VAL . 5.0 mt -63.65 -51.0 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.2 -43.1 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -62.44 -41.12 98.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 108.007 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.64 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.46 -51.73 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.588 ' HA ' HD12 ' A' ' 41' ' ' LEU . 11.4 p -61.66 -34.84 76.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -60.56 -40.93 93.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.36 -34.76 79.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.897 ' O ' HG12 ' A' ' 46' ' ' VAL . 82.0 mt -57.84 -50.11 74.4 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.27 -42.05 80.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -58.49 -37.71 76.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 10.3 t80 -76.05 0.42 18.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 67.8 46.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.897 HG12 ' O ' ' A' ' 41' ' ' LEU . 6.1 p -124.94 149.9 29.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -64.57 131.41 95.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.78 18.5 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.586 1.835 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.47 -11.86 57.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.437 HD12 HD11 ' A' ' 60' ' ' ILE . 27.7 mt -72.07 -39.54 68.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.83 HD11 HD22 ' A' ' 85' ' ' LEU . 12.3 tp -68.73 -16.54 63.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -21.95 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.81 145.75 50.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.7 p -60.08 -32.64 71.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -63.99 -49.9 70.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -62.0 -34.95 90.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.743 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -63.98 -43.77 94.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.51 ' HG3' ' CZ ' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -60.05 -38.49 82.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -39.82 89.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.825 HG12 HD22 ' A' ' 41' ' ' LEU . 1.5 mp -70.88 -72.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.485 ' N ' HG22 ' A' ' 60' ' ' ILE . 14.0 tp -40.35 -37.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.05 -48.83 76.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' ILE . 1.5 tt0 -93.06 21.56 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.499 HD21 ' CD1' ' A' ' 78' ' ' LEU . 21.0 tp -110.16 -27.6 9.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.606 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.2 tm0? -50.85 -45.72 87.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.94 -38.77 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.805 ' HA ' HG22 ' A' ' 70' ' ' THR . 25.6 m -68.32 -12.58 61.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.944 HD11 ' CG ' ' A' ' 79' ' ' TYR . 7.3 mt -70.58 -44.27 67.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -75.46 -6.49 50.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.805 HG22 ' HA ' ' A' ' 67' ' ' SER . 1.7 t -117.91 -7.13 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.616 ' HA3' HD12 ' A' ' 75' ' ' LEU . . . -83.36 -100.06 0.54 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.1 p 169.8 -175.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.761 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.68 -41.92 96.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.596 1.185 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -47.43 54.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.687 HD11 HD23 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -58.18 -34.85 70.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.574 ' HA ' HD22 ' A' ' 68' ' ' LEU . 33.3 ttt85 -62.19 -44.03 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.3 -35.2 67.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.64 HD23 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -61.94 -47.17 86.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.944 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -60.51 -41.57 94.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.848 ' OD1' HD13 ' A' ' 101' ' ' LEU . 2.6 t-20 -63.35 -31.62 72.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.614 HG23 ' HH2' ' A' ' 16' ' ' TRP . 8.2 m -70.02 -47.76 60.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.743 HG23 ' SG ' ' A' ' 57' ' ' CYS . 67.8 mt -64.37 -43.34 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.644 1.215 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 1.036 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -49.56 -51.43 36.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.639 HG22 ' HB2' ' A' ' 100' ' ' ALA . 5.4 t -57.85 -43.8 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.872 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.75 -43.71 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.51 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 39.6 t80 -60.25 -43.91 95.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.497 ' SG ' HG21 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -62.76 -37.43 86.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.436 HG12 ' HG2' ' A' ' 12' ' ' GLU . 5.2 t -61.06 -32.81 53.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 15.4 m170 -67.54 -40.24 85.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.57 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.553 ' CB ' HD11 ' A' ' 92' ' ' ILE . 6.0 mt-30 -86.77 -13.5 45.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 87' ' ' CYS . 34.5 mtp85 64.18 41.42 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.553 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.9 mp -76.01 141.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.16 106.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.497 HG21 ' SG ' ' A' ' 87' ' ' CYS . 17.7 m -139.12 174.0 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.235 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -137.02 -69.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.418 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -101.43 171.69 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.745 HG22 ' CG ' ' A' ' 80' ' ' ASN . 63.2 m -59.71 -42.45 93.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.418 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 1.2 tttt -61.12 -31.56 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -67.56 -32.28 72.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.831 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -68.53 -42.07 79.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.848 HD13 ' OD1' ' A' ' 80' ' ' ASN . 0.8 OUTLIER -56.57 -42.69 79.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -73.58 -42.52 61.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -61.54 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.036 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.8 pt -55.32 -27.89 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 2.7 mt-10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.619 HG12 HG21 ' A' ' 151' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' SER . . . . . 0.495 ' O ' HG22 ' A' ' 151' ' ' THR . 0.0 OUTLIER -86.62 161.76 47.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.929 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.15 14.14 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.449 1.762 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -44.31 89.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.619 HG21 HG12 ' A' ' 147' ' ' ILE . 2.3 t -70.31 -36.06 74.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.808 ' O ' HG23 ' A' ' 156' ' ' VAL . 25.8 mt -64.03 -32.59 74.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.06 -47.1 66.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.64 -49.62 76.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.679 ' HZ2' HG23 ' A' ' 191' ' ' VAL . 1.9 t90 -61.81 -49.22 77.18 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 152' ' ' LEU . 3.9 t -44.88 -44.11 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -60.1 -37.62 80.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.761 HG11 ' HE2' ' A' ' 171' ' ' MET . 75.6 t -69.42 -45.27 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.688 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 2.6 t -52.87 -46.21 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -21.66 61.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -76.82 -37.53 55.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.687 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -140.19 -57.97 0.54 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.716 ' HB1' ' HA2' ' A' ' 193' ' ' GLY . . . 84.23 -48.4 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.73 ' CE2' ' CD2' ' A' ' 277' ' ' TYR . 4.3 p90 -145.54 109.69 4.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.7 172.32 4.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -19.57 17.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.45 1.763 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.98 -2.46 53.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.73 HG13 ' CE1' ' A' ' 172' ' ' PHE . 2.9 t -99.92 -34.09 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.62 HD11 ' C ' ' A' ' 270' ' ' LEU . 0.3 OUTLIER -49.89 -48.44 77.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.02 -34.22 3.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.761 ' HE2' HG11 ' A' ' 158' ' ' VAL . 1.8 tmm? -61.88 -36.12 80.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.73 ' CE1' HG13 ' A' ' 168' ' ' VAL . 4.6 m-30 -72.81 -35.5 67.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' SER . . . . . 0.599 ' HB2' HD11 ' A' ' 267' ' ' ILE . 3.6 t -73.38 -28.66 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.07 -45.64 63.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.497 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -74.63 -35.93 62.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.487 ' HB2' HD21 ' A' ' 184' ' ' LEU . 25.1 p -95.18 14.37 22.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 176' ' ' SER . 1.0 OUTLIER -38.0 101.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 57.48 66.15 3.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.518 ' HB3' ' HG ' ' A' ' 184' ' ' LEU . . . -103.99 172.91 6.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 0.795 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.762 HG21 HD11 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -96.86 -173.46 0.33 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.5 Cg_endo -74.98 -40.84 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.437 1.756 . . . . 0.0 111.052 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -70.43 -42.09 72.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.27 -49.56 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.234 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.518 ' HG ' ' HB3' ' A' ' 179' ' ' ALA . 21.4 mt -63.74 -37.06 85.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 185' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 38.0 t-20 -63.32 -34.53 77.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.764 HG21 HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -60.82 -45.3 94.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.609 ' SD ' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -68.27 -44.81 74.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.687 HD21 HD21 ' A' ' 201' ' ' LEU . 5.9 mp -80.89 6.03 14.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 189' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 4.9 t-20 -102.04 -49.17 4.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 191' ' ' VAL . 2.3 t -97.69 11.6 36.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.172 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.679 HG23 ' HZ2' ' A' ' 155' ' ' TRP . 0.9 OUTLIER -51.47 -176.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.583 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -159.89 59.39 0.31 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 193' ' ' GLY . . . . . 0.716 ' HA2' ' HB1' ' A' ' 163' ' ' ALA . . . -112.17 -71.27 0.59 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -177.81 130.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.543 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -57.52 -41.84 81.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.56 74.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.04 79.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.479 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.07 -33.19 68.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 111.044 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.85 -53.51 54.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 53.9 mtm -64.56 -46.4 82.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.745 HD12 ' HA3' ' A' ' 269' ' ' GLY . 1.4 tp -57.95 -41.97 83.95 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.574 1.171 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -61.29 -40.94 95.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 203' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 0.7 OUTLIER -66.77 -37.99 85.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 204' ' ' THR . . . . . 0.401 HG23 ' OE1' ' A' ' 208' ' ' GLU . 0.9 OUTLIER -70.06 -40.69 74.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.478 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.699 HD11 ' HA ' ' A' ' 266' ' ' ILE . 31.4 mt -67.04 -55.99 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -40.92 85.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 207' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 32.8 tt0 -67.21 -29.21 68.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 208' ' ' GLU . . . . . 0.527 ' OE1' HD22 ' A' ' 268' ' ' LEU . 0.8 OUTLIER -64.72 -32.05 73.55 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.61 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -74.75 -49.75 19.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -58.31 -48.31 80.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 211' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 208' ' ' GLU . 3.0 pp20? -67.08 -36.52 82.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -59.08 -60.63 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 107.961 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -56.34 -33.2 65.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -59.23 -42.1 90.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 231' ' ' PRO . . . . . 0.528 ' HB3' HG21 ' A' ' 256' ' ' ILE . 18.2 Cg_endo -74.99 102.86 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -116.72 143.55 45.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.61 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -51.19 -38.41 40.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -35.75 76.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 110.016 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -74.35 -48.5 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.731 ' CG1' HG22 ' A' ' 258' ' ' VAL . 7.0 mt -61.41 -24.24 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -77.07 -23.14 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 86.52 25.91 34.48 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.172 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.43 -38.44 49.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 0.781 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 240' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 240' ' ' THR . 25.2 m -130.42 5.44 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.425 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 8.4 t -121.61 157.92 29.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 242' ' ' THR . . . . . 0.47 ' CG2' ' HG2' ' A' ' 244' ' ' GLN . 0.7 OUTLIER -96.88 176.66 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.526 HD22 HD12 ' A' ' 247' ' ' ILE . 1.4 tm? -67.11 -58.74 4.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 244' ' ' GLN . . . . . 0.47 ' HG2' ' CG2' ' A' ' 242' ' ' THR . 0.4 OUTLIER -54.37 -23.12 14.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 245' ' ' GLU . . . . . 0.427 ' HB2' HG22 ' A' ' 242' ' ' THR . 6.5 mt-10 -71.05 -41.14 71.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 246' ' ' GLN . . . . . 0.482 HE21 ' HG3' ' A' ' 181' ' ' PRO . 0.5 OUTLIER -67.93 -53.79 23.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.762 HD11 HG21 ' A' ' 180' ' ' THR . 0.9 OUTLIER -50.84 -41.2 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.88 -51.59 57.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 249' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -31.93 71.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 24.0 mtm -68.13 -23.57 64.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 251' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 251' ' ' THR . 30.3 m -118.3 22.35 12.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.1 OUTLIER -84.8 170.19 13.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.593 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.03 111.0 32.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 159.42 97.94 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.934 -2.528 . . . . 0.0 110.934 0.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.98 121.3 6.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 256' ' ' ILE . . . . . 0.613 HG23 ' HD2' ' A' ' 257' ' ' PRO . 7.2 mt -89.9 139.75 27.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.178 . . . . 0.0 109.227 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 256' ' ' ILE . 18.1 Cg_endo -75.0 55.15 3.86 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.56 1.821 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.731 HG22 ' CG1' ' A' ' 236' ' ' ILE . 1.8 t -59.77 -60.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 259' ' ' GLY . . . . . 0.429 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -60.98 -42.8 99.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -64.36 -32.38 73.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.693 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 9.0 mt -66.3 -46.12 87.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 262' ' ' TYR . . . . . 0.453 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 0.3 OUTLIER -67.17 -46.69 73.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.925 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -56.18 -40.13 73.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -65.37 -32.93 74.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.693 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 55.0 m0 -62.06 -47.81 83.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 107.991 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.907 HG22 ' CD1' ' A' ' 270' ' ' LEU . 79.4 mt -57.28 -47.21 84.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 173' ' ' SER . 0.4 OUTLIER -60.59 -29.1 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 268' ' ' LEU . . . . . 0.527 HD22 ' OE1' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -64.49 -56.46 13.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.745 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.04 -58.66 11.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.907 ' CD1' HG22 ' A' ' 266' ' ' ILE . 14.7 mt -44.93 -33.1 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 271' ' ' ASN . . . . . 0.418 ' N ' HD11 ' A' ' 169' ' ' ILE . 1.1 m-20 -64.26 -45.22 89.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 269' ' ' GLY . 66.0 mttt -69.17 -37.61 78.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 201' ' ' LEU . 60.1 mt -59.7 -45.73 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 270' ' ' LEU . 79.5 t -71.34 -41.35 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -58.06 -16.5 13.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.16 -28.68 14.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 0.73 ' CD2' ' CE2' ' A' ' 164' ' ' PHE . 7.7 t80 -103.38 17.36 24.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.155 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.91 116.49 48.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.359 1.103 0 O-C-N 124.545 1.813 . . . . 0.0 110.964 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.066 HG11 HG21 ' A' ' 34' ' ' ILE . 30.0 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.616 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -103.59 152.09 22.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.0 179.64 7.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.975 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.64 -57.46 18.8 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.41 -41.69 29.71 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -41.32 87.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.354 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.618 ' CD1' HD13 ' A' ' 31' ' ' LEU . 8.0 tp -65.05 -40.91 95.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -55.86 -31.58 62.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.404 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -77.03 -44.86 29.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.894 ' CE3' HD12 ' A' ' 85' ' ' LEU . 42.1 t-105 -56.96 -63.69 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 107.98 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 4.6 tt0 -53.69 -35.45 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -52.77 -55.42 22.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.82 HD13 HG13 ' A' ' 84' ' ' VAL . 4.4 mt -54.06 142.7 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.629 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 5.6 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.459 0.171 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HE2' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -143.29 163.29 33.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.618 HD13 ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -60.96 -28.89 69.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -42.96 99.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.467 ' CE1' ' HE2' ' A' ' 30' ' ' LYS . 17.3 m80 -64.17 -36.32 83.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.066 HG21 HG11 ' A' ' 7' ' ' VAL . 7.1 mt -63.9 -50.21 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -49.44 -43.58 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -62.7 -40.6 97.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.508 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.4 -51.89 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.614 ' HA ' HD12 ' A' ' 41' ' ' LEU . 5.8 p -57.9 -34.89 70.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -60.75 -41.03 94.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.32 -34.97 79.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.233 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.932 ' O ' HG12 ' A' ' 46' ' ' VAL . 77.1 mt -59.06 -49.33 78.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.96 -39.13 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.38 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -38.89 77.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 9.0 t80 -76.68 -0.39 23.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 70.01 46.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.932 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.9 p -124.9 149.4 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -65.13 135.2 96.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -18.96 18.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.78 -12.66 54.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.563 1.165 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.509 HD12 HG22 ' A' ' 46' ' ' VAL . 24.8 mt -73.51 -30.78 63.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 0.752 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.695 HD11 HD22 ' A' ' 85' ' ' LEU . 13.3 tp -78.51 -15.89 58.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -22.11 54.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.554 1.159 . . . . 0.0 110.378 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.96 150.39 48.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.446 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.516 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 11.1 t -64.79 -31.44 72.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.964 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 56' ' ' GLY . 12.7 pt-20 -63.07 -39.93 96.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.664 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -71.18 -40.41 61.46 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.431 1.082 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.605 ' SG ' HD12 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -63.87 -44.0 94.41 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -34.58 73.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.08 -37.37 75.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.739 HG12 HD22 ' A' ' 41' ' ' LEU . 1.1 mp -70.99 -72.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.572 ' N ' HG22 ' A' ' 60' ' ' ILE . 10.6 tp -41.99 -38.01 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.51 -48.58 83.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.401 1.063 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.6 19.48 11.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 0.812 . . . . 0.0 110.359 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.491 HD23 ' CD2' ' A' ' 79' ' ' TYR . 14.6 tp -104.13 -27.54 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.606 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.6 tm0? -51.94 -45.44 92.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.02 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.42 1.747 . . . . 0.0 111.012 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.831 ' HA ' HG22 ' A' ' 70' ' ' THR . 18.5 m -68.73 -12.03 60.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.908 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.9 mt -71.02 -43.8 67.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' A' ' 66' ' ' PRO . 3.0 pt20 -74.64 -6.9 51.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.831 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.77 -5.08 10.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.388 1.055 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.775 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -82.42 -99.42 0.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.7 p 169.19 -175.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.54 -41.23 98.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -47.12 58.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.775 HD13 ' CA ' ' A' ' 71' ' ' GLY . 6.6 tt -61.72 -33.86 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.61 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -61.59 -40.29 94.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.5 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -65.47 -30.8 71.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.67 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -63.86 -41.34 97.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.908 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.6 t80 -62.33 -42.77 99.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.557 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.1 OUTLIER -58.38 -32.19 68.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 37' ' ' ALA . 95.3 m -68.64 -48.7 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.541 HD13 HG21 ' A' ' 60' ' ' ILE . 19.1 mt -67.06 -32.1 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.961 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -60.43 -58.79 7.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.243 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.82 HG13 HD13 ' A' ' 19' ' ' ILE . 3.1 t -58.14 -42.48 83.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.894 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.52 -46.34 80.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -60.02 -32.96 71.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.455 ' HB2' HG22 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -70.74 -37.96 73.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 108.267 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.8 t -62.88 -32.71 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.516 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 22.7 m80 -67.8 -40.24 83.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.511 ' CB ' HD11 ' A' ' 92' ' ' ILE . 5.8 mm-40 -84.98 -20.11 31.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER 71.43 39.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.511 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.9 mp -75.89 141.78 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -64.43 107.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.447 HG21 ' SG ' ' A' ' 87' ' ' CYS . 12.0 m -135.54 174.3 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -144.38 -48.03 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.245 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.92 170.86 9.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.466 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 99.2 m -59.63 -46.2 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -58.19 -32.03 67.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -33.2 74.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 110.352 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.814 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -70.09 -39.86 75.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 2.0 mp -56.65 -45.99 81.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -73.14 -41.0 64.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.445 ' HB3' HG21 ' A' ' 92' ' ' ILE . 7.2 mptt -64.53 -62.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.961 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pt -55.48 -28.25 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 5.7 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.52 HG12 HG21 ' A' ' 151' ' ' THR . 1.3 tt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 159.88 54.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.032 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.93 14.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.561 1.822 . . . . 0.0 111.024 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.89 -37.37 87.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.536 ' OG1' HD21 ' A' ' 175' ' ' LEU . 0.6 OUTLIER -66.99 -36.01 81.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.413 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.982 ' O ' HG23 ' A' ' 156' ' ' VAL . 23.7 mt -63.54 -43.05 98.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -37.45 85.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -63.46 -49.06 75.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 63.7 t-105 -62.3 -43.76 98.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 108.042 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.982 HG23 ' O ' ' A' ' 152' ' ' LEU . 47.4 t -45.58 -43.49 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -70.27 -34.35 72.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 154' ' ' ALA . 92.4 t -63.71 -37.72 80.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.381 1.05 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.602 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 25.1 t -67.89 -46.37 82.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -19.31 64.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.78 -38.5 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.689 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -127.81 -63.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.55 -48.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.455 ' C ' HG22 ' A' ' 274' ' ' VAL . 0.1 OUTLIER -160.85 60.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.47 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -111.22 170.76 4.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.029 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -19.19 17.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.767 . . . . 0.0 110.968 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -92.08 -1.57 57.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.095 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -102.68 -33.45 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.609 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.6 mm -51.49 -46.14 90.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.07 -35.49 3.06 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -33.77 75.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.477 ' HE2' HD12 ' A' ' 267' ' ' ILE . 2.3 t80 -68.41 -36.23 78.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 173' ' ' SER . . . . . 0.484 ' OG ' HD11 ' A' ' 267' ' ' ILE . 0.8 OUTLIER -64.3 -41.66 96.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.114 . . . . 0.0 109.917 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.92 91.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.536 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -77.21 -10.01 59.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.838 ' OG ' HD21 ' A' ' 184' ' ' LEU . 9.0 t -111.19 13.74 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -42.17 103.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 40.75 66.01 0.94 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.91 -175.62 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.935 HG21 HD11 ' A' ' 247' ' ' ILE . 1.2 p -109.44 -177.25 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.67 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.2 Cg_endo -74.99 -36.75 2.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.565 1.824 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -70.01 -42.6 72.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 110.248 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.48 ' OD2' HD12 ' A' ' 147' ' ' ILE . 0.0 OUTLIER -68.03 -48.99 64.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.838 HD21 ' OG ' ' A' ' 176' ' ' SER . 60.7 mt -62.79 -39.48 94.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.67 -33.79 76.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.881 HG22 HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -60.6 -47.91 84.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.362 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.566 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 5.2 ttm -61.91 -46.24 90.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.84 -20.41 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -79.17 -41.78 27.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.632 ' HB ' HD22 ' A' ' 152' ' ' LEU . 2.0 t -78.23 0.1 26.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.443 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.693 HG22 ' H ' ' A' ' 192' ' ' GLY . 1.4 p -54.57 -167.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.693 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -86.48 29.44 4.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.554 1.159 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 193' ' ' GLY . . . . . 0.429 ' N ' HG13 ' A' ' 191' ' ' VAL . . . 56.65 27.58 55.24 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 197' ' ' ALA . 0.8 OUTLIER -70.15 73.44 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 109.595 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -57.26 -43.66 83.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.67 77.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 194' ' ' HIS . . . -60.61 -48.98 79.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.401 ' SD ' ' O ' ' A' ' 194' ' ' HIS . 0.0 OUTLIER -58.23 -33.5 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -62.97 -54.72 33.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 24.0 mtm -68.83 -29.01 67.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.66 HD13 ' HA3' ' A' ' 269' ' ' GLY . 35.6 tp -72.18 -36.42 69.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -64.94 -35.1 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 203' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.5 tt0 -67.9 -45.35 74.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.236 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.11 -49.47 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.525 HD11 HG12 ' A' ' 266' ' ' ILE . 8.6 mt -60.82 -55.68 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -57.96 -32.55 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 207' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 0.7 OUTLIER -73.15 -29.71 63.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 208' ' ' GLU . . . . . 0.603 ' CD ' HD13 ' A' ' 268' ' ' LEU . 7.7 mm-40 -64.95 -38.42 90.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.568 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -69.94 -50.35 42.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.74 -47.9 76.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 211' ' ' GLU . . . . . 0.422 ' OE2' ' CG ' ' A' ' 207' ' ' GLU . 3.0 mt-10 -67.08 -34.56 77.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -61.62 -65.29 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -56.09 -33.05 64.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -30.59 70.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 215' ' ' LEU . . . . . 0.624 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.4 pp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 230' ' ' GLU . . . . . 0.528 ' O ' ' CG ' ' A' ' 230' ' ' GLU . 6.2 pt-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 231' ' ' PRO . . . . . 0.429 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.3 Cg_endo -74.97 143.26 28.95 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -85.16 169.34 13.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.568 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -44.22 -39.24 5.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -42.07 87.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 235' ' ' ASP . . . . . 0.429 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 10.2 m-20 -61.11 -39.44 89.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.473 ' CG1' ' CG2' ' A' ' 258' ' ' VAL . 3.8 mt -60.28 -33.05 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.99 -15.04 62.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 79.12 25.97 58.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 239' ' ' THR . . . . . 0.499 HG22 HG23 ' A' ' 240' ' ' THR . 0.8 OUTLIER -89.68 -38.29 13.99 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.462 0.742 . . . . 0.0 110.353 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 240' ' ' THR . . . . . 0.499 HG23 HG22 ' A' ' 239' ' ' THR . 40.5 p -104.28 -0.7 27.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.93 141.92 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 242' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 245' ' ' GLU . 0.6 OUTLIER -74.19 172.08 12.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.417 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.625 HD13 HG12 ' A' ' 247' ' ' ILE . 2.9 tm? -69.89 -57.75 4.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.54 -28.4 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 245' ' ' GLU . . . . . 0.426 ' HB2' HG22 ' A' ' 242' ' ' THR . 12.4 mt-10 -70.41 -48.81 54.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -67.33 -42.58 83.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.238 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.935 HD11 HG21 ' A' ' 180' ' ' THR . 38.8 mm -48.92 -57.35 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 248' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -61.03 -45.44 96.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 249' ' ' TRP . . . . . 0.52 ' CD1' HD13 ' A' ' 256' ' ' ILE . 0.1 OUTLIER -56.05 -31.29 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 10.5 ttm -67.32 -40.96 86.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.9 p -107.05 22.32 16.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 255' ' ' PRO . 54.1 t-80 -86.85 170.04 12.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 109.57 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 6.1 m-20 -120.78 112.0 34.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.5 Cg_endo -74.98 159.27 98.25 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.049 0.008 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.09 122.35 7.11 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 256' ' ' ILE . . . . . 0.52 HD13 ' CD1' ' A' ' 249' ' ' TRP . 6.8 mt -92.47 112.44 55.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.276 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.41 3.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.959 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.3 OUTLIER -64.91 -40.75 90.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.18 -40.21 98.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.46 -31.84 70.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 110.31 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.959 HD12 ' HA ' ' A' ' 258' ' ' VAL . 21.4 mt -63.31 -45.91 96.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 262' ' ' TYR . . . . . 0.67 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 34.4 t80 -73.34 -45.73 53.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.08 -37.26 69.09 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.586 1.179 . . . . 0.0 109.218 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -68.59 -34.37 75.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.591 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 52.6 m0 -62.2 -46.05 90.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 107.978 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.892 HG22 ' CD1' ' A' ' 270' ' ' LEU . 48.2 mt -56.95 -47.32 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.484 HD11 ' OG ' ' A' ' 173' ' ' SER . 0.3 OUTLIER -60.07 -32.92 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 268' ' ' LEU . . . . . 0.603 HD13 ' CD ' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -57.9 -57.77 11.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.66 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.07 -58.75 11.37 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.892 ' CD1' HG22 ' A' ' 266' ' ' ILE . 12.8 mt -43.0 -34.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.11 -47.75 78.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 269' ' ' GLY . 3.5 tttt -66.71 -38.47 86.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 270' ' ' LEU . 26.7 mt -62.28 -44.64 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 270' ' ' LEU . 97.3 t -64.38 -46.03 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.135 . . . . 0.0 109.216 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -60.89 -16.24 39.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.4 ttt -95.2 -37.9 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -95.67 16.95 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 12.3 p -72.04 152.69 92.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.47 1.774 . . . . 0.0 110.923 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.788 HG11 HG21 ' A' ' 34' ' ' ILE . 2.9 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.621 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.7 mt -106.08 160.5 15.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.33 179.93 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.023 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.11 -57.55 19.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.155 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.12 -39.5 23.26 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -39.59 81.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.483 ' CD1' HD13 ' A' ' 31' ' ' LEU . 13.9 tp -69.92 -40.78 75.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -31.63 63.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.944 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -79.7 -42.06 25.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.851 ' CE3' HD12 ' A' ' 85' ' ' LEU . 31.5 t-105 -57.0 -62.37 1.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -56.43 -36.86 69.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -51.45 -48.43 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.944 HD12 ' O ' ' A' ' 15' ' ' LYS . 2.5 mp -56.0 143.36 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.738 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 1.5 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.467 0.175 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -142.87 167.71 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.483 HD13 ' CD1' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -63.06 -27.47 69.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -45.84 92.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -63.18 -35.65 81.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.58 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.788 HG21 HG11 ' A' ' 7' ' ' VAL . 3.7 mt -62.88 -49.91 81.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.4 -41.4 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.442 ' CZ3' ' HA ' ' A' ' 78' ' ' LEU . 52.6 t90 -62.25 -37.67 86.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.003 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.604 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -58.83 -53.64 56.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.728 ' HA ' HD23 ' A' ' 51' ' ' LEU . 9.5 p -63.39 -34.77 78.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -60.52 -35.37 75.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 110.363 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.52 -34.33 69.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.838 ' O ' HG12 ' A' ' 46' ' ' VAL . 6.7 mt -57.81 -50.86 71.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 5.8 pt-20 -62.34 -31.72 72.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -76.23 -12.92 60.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.59 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 27.6 t80 -98.93 -0.18 42.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 76.72 25.58 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.838 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.8 p -114.95 150.51 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.84 135.12 96.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -18.89 18.33 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.521 1.801 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.52 -13.64 51.39 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.53 HD12 HG22 ' A' ' 46' ' ' VAL . 29.5 mt -71.49 -16.75 62.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.728 HD23 ' HA ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -85.76 -7.63 58.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -92.22 -21.68 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.24 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.1 p -125.43 147.58 49.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 110.42 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.57 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 15.5 t -70.11 -26.33 63.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -63.4 -50.16 70.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.718 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -67.87 -35.13 84.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.617 ' SG ' HG23 ' A' ' 82' ' ' ILE . 5.4 t -64.05 -41.82 97.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -59.84 -36.47 76.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -29.94 70.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.774 HG21 HD13 ' A' ' 82' ' ' ILE . 1.1 mp -73.9 -74.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.594 ' N ' HG22 ' A' ' 60' ' ' ILE . 13.6 tp -40.81 -36.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.88 -49.11 79.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.451 1.095 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -95.79 22.48 7.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.356 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.517 HD23 ' CD2' ' A' ' 79' ' ' TYR . 14.8 tp -109.87 -26.95 9.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.598 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 5.7 tm0? -53.3 -45.1 98.57 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.08 -40.45 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.575 1.829 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.786 ' HA ' HG22 ' A' ' 70' ' ' THR . 44.1 m -68.7 -11.59 60.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.386 1.053 . . . . 0.0 110.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.966 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.2 mt -71.21 -43.22 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -73.5 -7.26 51.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.786 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.9 t -121.49 -4.73 9.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.887 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -78.8 -97.6 0.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 11.8 p 164.15 -172.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.508 0.769 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.402 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -62.48 -43.2 99.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 8.3 pt-20 -72.64 -38.6 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.887 HD13 ' HA2' ' A' ' 71' ' ' GLY . 4.9 tt -65.84 -34.7 78.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.5 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -62.3 -49.05 77.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.66 -35.43 65.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -60.79 -47.21 87.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.966 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.6 t80 -63.43 -41.12 98.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.627 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.4 t-20 -61.67 -32.34 72.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.748 HG23 ' HH2' ' A' ' 16' ' ' TRP . 4.1 m -70.52 -47.13 61.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.404 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.774 HD13 HG21 ' A' ' 60' ' ' ILE . 72.8 mt -63.76 -42.5 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.112 . . . . 0.0 109.38 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 1.097 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -51.41 -53.47 36.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.533 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 3.8 t -58.9 -42.82 86.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.851 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.52 -40.98 75.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.405 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 31.8 t80 -59.91 -39.66 86.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.444 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -67.97 -36.98 80.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 0.0 108.301 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.9 t -66.33 -41.88 89.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 20.7 m80 -55.89 -40.12 72.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.577 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.46 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 0.4 OUTLIER -89.22 -14.86 34.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.298 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.48 39.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.46 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.3 mp -75.81 140.97 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.31 94.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.63 HG23 ' CG1' ' A' ' 19' ' ' ILE . 15.7 m -111.03 172.76 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.09 -51.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.396 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.12 170.44 11.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.627 HG22 ' CG ' ' A' ' 80' ' ' ASN . 54.1 m -60.41 -45.65 92.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -31.29 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.59 -38.62 88.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -67.69 -37.63 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.488 HD13 ' OD1' ' A' ' 80' ' ' ASN . 2.0 mp -54.43 -48.26 71.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -73.42 -40.4 64.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.216 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -63.31 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.097 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -55.28 -27.7 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.524 HG12 HG21 ' A' ' 151' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.03 160.69 51.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.08 14.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -65.02 -39.74 93.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.17 . . . . 0.0 110.339 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.524 HG21 HG12 ' A' ' 147' ' ' ILE . 1.0 OUTLIER -73.81 -38.29 64.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.851 HD11 HG21 ' A' ' 186' ' ' THR . 27.4 mt -65.57 -33.17 75.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -48.55 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.33 -49.15 78.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.642 ' HZ2' HG23 ' A' ' 191' ' ' VAL . 3.2 t90 -61.61 -49.69 75.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.038 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 152' ' ' LEU . 2.9 t -45.87 -44.22 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -60.22 -34.23 73.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 155' ' ' TRP . 96.9 t -72.04 -45.43 63.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.757 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 2.7 t -57.51 -44.61 85.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.613 1.196 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -36.16 68.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -55.53 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.691 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 11.3 mmtt -127.51 -52.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 159' ' ' VAL . . . 85.96 -47.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.523 ' CE2' ' HA3' ' A' ' 193' ' ' GLY . 11.8 m-85 -143.27 124.52 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.531 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER 177.99 171.38 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -19.44 17.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.545 1.813 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.07 0.05 55.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -103.72 -33.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.627 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 29.2 mm -53.09 -45.47 98.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -74.93 -37.65 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -31.72 72.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.599 ' CE2' ' SD ' ' A' ' 187' ' ' MET . 0.8 OUTLIER -64.85 -44.43 89.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.024 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 81.3 p -68.13 -31.05 70.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.72 91.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.398 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -77.22 -31.77 55.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.816 ' OG ' HD21 ' A' ' 184' ' ' LEU . 25.0 t -87.35 13.89 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.13 94.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 71.29 57.34 6.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.72 -175.82 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.896 HG21 HD11 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -120.65 -174.61 0.3 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.555 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.4 Cg_endo -74.97 -41.99 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.15 -46.45 64.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -61.43 -49.22 77.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.816 HD21 ' OG ' ' A' ' 176' ' ' SER . 70.3 mt -65.77 -32.39 73.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 185' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 2.3 m-20 -62.0 -42.61 99.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.851 HG21 HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -61.13 -39.98 92.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.394 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.611 ' O ' ' CZ2' ' A' ' 155' ' ' TRP . 1.2 ttm -69.85 -45.95 66.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.505 HD13 HD13 ' A' ' 266' ' ' ILE . 0.3 OUTLIER -81.74 6.73 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 189' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 8.4 t-20 -101.68 -46.36 4.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.465 HG22 ' CH2' ' A' ' 155' ' ' TRP . 1.6 t -97.49 7.78 45.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.85 HG11 ' CE ' ' A' ' 198' ' ' MET . 1.7 p -51.39 -175.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.666 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -154.05 79.91 0.19 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 193' ' ' GLY . . . . . 0.523 ' HA3' ' CE2' ' A' ' 164' ' ' PHE . . . -135.92 -62.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 171.78 129.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.628 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -58.0 -42.15 84.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.83 -49.38 75.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.1 79.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.85 ' CE ' HG11 ' A' ' 191' ' ' VAL . 5.7 mmt -58.03 -33.42 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -71.85 -54.53 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -58.98 -33.06 70.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.693 HD13 ' HA3' ' A' ' 269' ' ' GLY . 3.1 tp -69.68 -37.99 76.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -57.53 -39.6 76.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -40.17 88.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.38 -36.2 78.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.472 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 266' ' ' ILE . 24.5 mt -69.85 -55.33 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -57.88 -42.78 85.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 109.372 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.76 -35.7 81.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 208' ' ' GLU . . . . . 0.466 ' HG3' HD13 ' A' ' 268' ' ' LEU . 31.4 mm-40 -68.56 -27.57 66.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.824 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -69.14 -50.19 50.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.22 80.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -38.63 91.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -57.89 -62.33 1.89 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.27 -33.19 65.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -30.11 68.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 215' ' ' LEU . . . . . 0.576 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.7 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 231' ' ' PRO . . . . . 0.427 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.3 Cg_endo -75.05 141.98 27.14 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 232' ' ' ARG . . . . . 0.427 ' CG ' ' OD1' ' A' ' 235' ' ' ASP . 13.8 ptt180 -85.8 171.25 11.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.824 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -46.02 -38.3 8.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 234' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 237' ' ' ALA . 57.9 m -66.96 -36.18 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 235' ' ' ASP . . . . . 0.427 ' OD1' ' CG ' ' A' ' 232' ' ' ARG . 1.7 m-20 -69.45 -48.04 62.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.429 ' HA ' ' NE2' ' A' ' 246' ' ' GLN . 12.1 mt -60.56 -18.47 16.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 237' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . . . -75.39 -20.68 58.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.595 1.184 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 97.14 17.68 31.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.29 -38.22 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 24.2 m -114.58 -0.27 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 75.5 m -134.27 145.4 49.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 242' ' ' THR . . . . . 0.595 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.4 OUTLIER -90.19 176.68 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.601 HD11 ' CD1' ' A' ' 247' ' ' ILE . 3.4 tm? -69.37 -51.62 34.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -50.8 -52.89 36.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 245' ' ' GLU . . . . . 0.469 ' H ' HG22 ' A' ' 242' ' ' THR . 8.6 mt-10 -61.06 -31.08 70.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 246' ' ' GLN . . . . . 0.438 ' CD ' ' CG1' ' A' ' 258' ' ' VAL . 0.8 OUTLIER -69.18 -72.59 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.896 HD11 HG21 ' A' ' 180' ' ' THR . 0.6 OUTLIER -42.74 -33.91 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -61.84 -51.8 54.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 249' ' ' TRP . . . . . 0.6 ' CD1' HD13 ' A' ' 256' ' ' ILE . 0.8 OUTLIER -65.63 -33.35 75.69 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 250' ' ' MET . . . . . 0.45 ' CE ' HG13 ' A' ' 247' ' ' ILE . 0.9 OUTLIER -57.56 -35.78 70.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.7 p -118.06 22.12 12.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 83.1 t60 -79.94 170.13 16.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.488 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 1.9 m-20 -120.57 111.52 34.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -74.94 159.46 97.96 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.029 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -75.0 124.9 8.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 256' ' ' ILE . . . . . 0.6 HD13 ' CD1' ' A' ' 249' ' ' TRP . 4.6 mt -101.53 136.42 19.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.671 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.0 Cg_endo -75.02 59.09 5.11 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.597 1.841 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 259' ' ' GLY . 2.5 t -65.2 -68.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 259' ' ' GLY . . . . . 0.469 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -63.31 -31.81 82.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.067 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.26 -36.14 76.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 257' ' ' PRO . 7.0 mt -63.65 -42.24 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 262' ' ' TYR . . . . . 0.569 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 0.4 OUTLIER -63.98 -39.36 93.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.074 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -62.34 -45.51 92.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 263' ' ' LYS . 0.2 OUTLIER -55.22 -36.47 66.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.311 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.614 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 46.5 m0 -61.95 -43.29 99.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.054 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.97 HG22 HD11 ' A' ' 270' ' ' LEU . 90.1 mt -57.81 -47.82 85.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -29.75 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 268' ' ' LEU . . . . . 0.466 HD13 ' HG3' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -57.92 -59.56 5.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.256 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.693 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.27 -58.86 10.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.97 HD11 HG22 ' A' ' 266' ' ' ILE . 11.4 mt -42.7 -35.93 1.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 0.737 . . . . 0.0 109.329 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.29 -47.35 82.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 269' ' ' GLY . 7.3 tptt -66.12 -37.56 86.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 0.902 HD12 ' HA ' ' A' ' 270' ' ' LEU . 16.4 mt -62.39 -46.07 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 270' ' ' LEU . 74.1 t -62.98 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -63.71 -16.33 60.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -92.21 -38.01 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 277' ' ' TYR . 16.3 t80 -97.48 15.48 23.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.6 151.44 52.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.538 1.81 . . . . 0.0 110.995 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.907 HG11 HG21 ' A' ' 34' ' ' ILE . 2.9 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.605 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 10.7 mt -98.35 151.55 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.81 179.74 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.72 -57.67 18.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -41.07 27.37 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.49 -39.54 84.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.236 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.622 ' CD1' HD11 ' A' ' 31' ' ' LEU . 7.2 tp -66.87 -41.23 87.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 37.0 t0 -55.84 -32.04 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -44.92 35.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.758 ' CE3' HD12 ' A' ' 85' ' ' LEU . 53.3 t-105 -56.58 -61.38 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.91 -21.76 45.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 7.5 tttt -90.52 40.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.891 HD13 HG13 ' A' ' 84' ' ' VAL . 56.8 mt -141.46 145.88 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 16' ' ' TRP . 3.1 m-85 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.467 0.175 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -130.57 173.96 10.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.622 HD11 ' CD1' ' A' ' 13' ' ' LEU . 2.6 mm? -61.04 -28.04 68.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.61 -45.55 93.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -62.93 -35.68 80.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.574 1.171 . . . . 0.0 109.594 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.907 HG21 HG11 ' A' ' 7' ' ' VAL . 3.5 mt -62.56 -49.53 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -51.46 -43.3 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.409 ' CZ2' ' OE2' ' A' ' 40' ' ' GLU . 61.6 t90 -62.7 -40.72 98.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.816 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.1 -53.0 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.204 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.782 ' HA ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -61.33 -35.58 77.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.41 1.069 . . . . 0.0 109.977 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -41.08 95.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.409 ' OE2' ' CZ2' ' A' ' 36' ' ' TRP . 1.6 mt-10 -63.11 -37.5 87.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 38' ' ' SER . 17.8 mt -61.25 -45.09 95.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -56.89 -35.58 69.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -24.71 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.596 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.8 OUTLIER -75.98 -3.95 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 111.043 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 77.62 22.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.63 HG22 HD12 ' A' ' 50' ' ' LEU . 5.0 p -116.59 147.42 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.95 138.13 97.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -18.69 18.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.11 -12.18 54.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.434 1.084 . . . . 0.0 111.006 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.63 HD12 HG22 ' A' ' 46' ' ' VAL . 23.5 mt -76.36 -17.56 59.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.796 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.737 HD13 HD11 ' A' ' 41' ' ' LEU . 8.1 tp -90.71 -4.79 56.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.03 -22.09 27.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.85 160.82 28.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.482 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.513 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 4.9 t -69.89 -32.6 71.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 110.034 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.13 -49.76 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.615 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -61.61 -41.54 99.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.709 ' SG ' HD12 ' A' ' 51' ' ' LEU . 1.3 m -64.08 -41.91 97.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -59.95 -41.74 92.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -38.86 91.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.382 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.713 HG12 HD22 ' A' ' 41' ' ' LEU . 1.1 mp -71.97 -73.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.585 HD11 ' CE1' ' A' ' 79' ' ' TYR . 11.6 tp -41.61 -37.62 1.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.23 -48.99 83.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.02 22.97 8.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD23 ' CD2' ' A' ' 79' ' ' TYR . 14.2 tp -108.71 -25.49 10.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.598 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 tm0? -53.51 -45.57 98.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.99 -39.93 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.809 ' HA ' HG22 ' A' ' 70' ' ' THR . 36.8 m -68.65 -12.06 60.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.029 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.938 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.7 mt -71.22 -43.74 66.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -7.0 51.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.809 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.9 t -119.97 -5.15 10.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.418 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.6 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.42 -99.04 0.4 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.3 p 168.37 -176.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -41.08 96.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -71.23 -46.91 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.6 HD13 ' CA ' ' A' ' 71' ' ' GLY . 8.4 tt -60.68 -34.14 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.543 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.37 -43.4 98.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.9 t -62.09 -30.73 71.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -65.75 -47.17 76.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.938 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.7 t80 -58.87 -42.87 90.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -57.02 -37.75 72.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.816 HG21 ' HB2' ' A' ' 37' ' ' ALA . 79.5 m -60.18 -48.0 83.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mt -67.05 -37.9 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.908 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -57.28 -58.52 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 109.358 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.891 HG13 HD13 ' A' ' 19' ' ' ILE . 3.2 t -58.23 -42.3 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.758 HD12 ' CE3' ' A' ' 16' ' ' TRP . 2.5 mp -56.98 -36.12 69.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -60.16 -53.26 59.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 111.054 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -33.11 72.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.0 t -66.16 -38.55 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.513 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 0.7 OUTLIER -57.82 -40.18 79.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.448 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 1.9 mm-40 -91.41 -8.45 47.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 64.27 43.32 4.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.448 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.2 mp -75.92 141.43 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -62.95 95.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.2 m -117.1 174.01 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 3.3 tttp -140.26 -58.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.475 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 3.6 p-10 -121.96 170.7 9.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.53 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 2.4 m -60.35 -44.41 95.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.433 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.475 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 0.3 OUTLIER -57.13 -32.95 66.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.45 -33.09 73.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.338 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.857 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -71.0 -39.73 72.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.64 -47.54 79.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.71 -41.22 65.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -63.03 -62.12 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.908 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.9 pt -55.83 -27.97 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.692 ' CG2' HG21 ' A' ' 186' ' ' THR . 1.4 tt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.0 163.36 46.22 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -24.68 12.52 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.448 1.762 . . . . 0.0 111.054 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -61.13 -45.12 95.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.519 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -70.14 -40.27 74.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.991 HD21 HG22 ' A' ' 186' ' ' THR . 23.7 mt -62.72 -33.97 76.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.32 -39.66 92.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.73 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -64.75 -46.44 82.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.524 ' CH2' ' CD2' ' A' ' 172' ' ' PHE . 1.3 t-105 -61.43 -48.62 80.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 108.007 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 152' ' ' LEU . 53.3 t -47.25 -41.78 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -70.51 -32.13 69.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 154' ' ' ALA . 89.5 t -66.15 -45.11 91.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.596 HG21 ' HA ' ' A' ' 191' ' ' VAL . 16.9 t -70.18 -46.41 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -16.53 64.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.262 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -82.94 -51.39 7.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.713 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -124.49 -52.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.36 -48.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 164' ' ' PHE . 17.8 p90 -150.01 113.26 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.485 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -170.76 171.17 2.73 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.969 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -18.65 18.51 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.06 1.61 55.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.954 HG22 ' CE1' ' A' ' 172' ' ' PHE . 0.3 OUTLIER -104.6 -34.19 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.639 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.0 mm -55.64 -44.79 99.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.03 -37.71 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -34.94 77.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.954 ' CE1' HG22 ' A' ' 168' ' ' VAL . 5.4 m-30 -64.87 -42.71 94.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.05 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.5 p -70.88 -31.06 67.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.999 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.47 93.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.46 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -75.3 -29.75 60.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.927 ' OG ' HD21 ' A' ' 184' ' ' LEU . 16.0 t -87.76 14.24 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.979 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -44.92 98.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 60.76 59.01 10.93 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.06 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -100.36 -177.82 3.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 0.726 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.736 HG21 HD11 ' A' ' 247' ' ' ILE . 0.2 OUTLIER -110.31 -173.89 0.28 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.5 Cg_endo -74.93 -41.81 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.441 1.758 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -70.15 -64.75 0.83 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -43.57 -39.21 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.927 HD21 ' OG ' ' A' ' 176' ' ' SER . 23.0 mt -66.88 -48.93 67.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -54.75 -36.18 64.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.991 HG22 HD21 ' A' ' 152' ' ' LEU . 0.7 OUTLIER -61.17 -44.23 97.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 110.358 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.505 ' HG2' ' CD2' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -62.58 -45.72 91.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.462 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 2.7 mp -56.65 -25.85 54.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -72.51 -47.7 46.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.493 ' HB ' HG22 ' A' ' 156' ' ' VAL . 0.9 OUTLIER -64.82 -9.97 24.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.596 ' HA ' HG21 ' A' ' 159' ' ' VAL . 0.7 OUTLIER -54.23 -168.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.579 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -84.37 22.98 7.71 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 193' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 191' ' ' VAL . . . 57.97 27.94 60.23 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 197' ' ' ALA . 30.4 m-70 -69.52 74.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.625 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.53 -43.29 84.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.39 75.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 194' ' ' HIS . . . -60.87 -48.7 80.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.462 ' CE ' ' HG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -57.99 -32.97 68.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.15 -55.13 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 31.4 mtm -61.82 -46.52 89.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.634 HD13 ' HA3' ' A' ' 269' ' ' GLY . 1.9 tp -62.8 -35.86 81.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -56.03 -40.64 73.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 203' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 1.7 tt0 -66.79 -37.15 84.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.6 -37.68 73.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.609 HG23 ' HE3' ' A' ' 265' ' ' TRP . 6.3 mt -70.34 -56.58 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.94 -42.98 86.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 207' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 48.4 tt0 -68.59 -29.3 67.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.21 -35.24 79.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.473 ' HB1' ' HA3' ' A' ' 233' ' ' GLY . . . -72.74 -50.11 26.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.604 1.19 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.12 75.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -69.08 -34.59 75.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 212' ' ' TRP . . . . . 0.565 ' CE3' HD11 ' A' ' 215' ' ' LEU . 26.5 t-105 -60.45 -65.2 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.037 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -56.3 -33.21 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.237 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -58.91 -34.7 71.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 215' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.0 pp . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 231' ' ' PRO . . . . . 0.473 ' CB ' ' CB ' ' A' ' 235' ' ' ASP . 18.2 Cg_endo -75.08 134.12 17.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 232' ' ' ARG . . . . . 0.631 ' O ' HD12 ' A' ' 236' ' ' ILE . 2.7 mpp_? -87.0 -172.49 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.473 ' HA3' ' HB1' ' A' ' 209' ' ' ALA . . . -52.78 -38.48 53.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 234' ' ' SER . . . . . 0.774 ' O ' HG22 ' A' ' 239' ' ' THR . 0.3 OUTLIER -65.29 -47.58 76.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.946 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 235' ' ' ASP . . . . . 0.473 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.3 m-20 -59.61 -43.68 93.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.625 1.203 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 232' ' ' ARG . 4.0 mt -60.39 -24.29 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 237' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -72.44 -22.92 61.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 100.44 16.89 25.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 239' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 234' ' ' SER . 10.2 t -82.56 -37.58 24.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 1.3 m -110.28 -2.94 16.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 3.3 t -136.56 147.85 47.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.93 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 242' ' ' THR . . . . . 0.404 HG22 ' CG ' ' A' ' 245' ' ' GLU . 1.8 t -93.6 -177.99 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.449 HD22 HD12 ' A' ' 247' ' ' ILE . 3.0 tm? -69.79 -56.0 8.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -47.1 -49.91 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 245' ' ' GLU . . . . . 0.404 ' CG ' HG22 ' A' ' 242' ' ' THR . 22.5 mt-10 -65.35 -31.37 72.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 246' ' ' GLN . . . . . 0.482 ' HG3' ' CG1' ' A' ' 258' ' ' VAL . 1.3 tp-100 -62.71 -63.89 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.736 HD11 HG21 ' A' ' 180' ' ' THR . 1.0 OUTLIER -53.24 -41.22 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 248' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.22 -42.92 98.88 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.507 1.129 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 249' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -35.54 81.51 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 26.5 mtm -66.11 -28.24 68.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 73.8 p -118.45 21.93 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.544 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 64.6 t60 -88.9 169.45 11.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.649 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.544 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 5.1 m-80 -120.28 112.01 34.79 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.98 159.57 97.81 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.054 -2.478 . . . . 0.0 111.067 0.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -75.0 119.67 5.75 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.543 1.812 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 4.0 mt -95.83 122.74 57.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.706 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.4 Cg_endo -74.98 53.92 3.47 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.408 1.741 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 259' ' ' GLY . 0.3 OUTLIER -65.97 -50.5 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 259' ' ' GLY . . . . . 0.514 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -66.67 -38.57 93.31 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -69.44 -31.92 70.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 257' ' ' PRO . 7.1 mt -63.13 -43.52 98.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 262' ' ' TYR . . . . . 0.544 ' CD2' ' HB3' ' A' ' 181' ' ' PRO . 0.2 OUTLIER -64.22 -44.13 92.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.614 ' HB2' HD11 ' A' ' 184' ' ' LEU . 0.3 OUTLIER -60.92 -43.47 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -34.51 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.609 ' HE3' HG23 ' A' ' 205' ' ' ILE . 43.2 m0 -66.22 -43.04 87.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 108.017 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.954 HG22 HD11 ' A' ' 270' ' ' LEU . 66.7 mt -57.36 -47.97 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.586 HG13 HG23 ' A' ' 169' ' ' ILE . 1.2 mp -60.59 -30.45 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -59.96 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.634 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.09 -57.8 15.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.954 HD11 HG22 ' A' ' 266' ' ' ILE . 13.3 mt -42.48 -36.31 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -47.8 79.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 269' ' ' GLY . 15.4 tttp -64.23 -43.29 95.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 270' ' ' LEU . 9.2 mt -58.94 -43.69 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 270' ' ' LEU . 22.6 t -64.87 -46.0 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -16.35 20.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -96.94 -37.92 10.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.586 1.179 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.54 17.81 12.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.08 154.99 92.22 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.997 HG11 HG21 ' A' ' 34' ' ' ILE . 8.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.618 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 14.4 mt -108.66 150.03 28.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.65 179.44 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.53 -58.24 15.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.8 -41.23 29.07 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.853 ' OE1' HG12 ' A' ' 88' ' ' VAL . 4.5 mm-40 -59.62 -35.15 73.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.836 HD21 HD21 ' A' ' 31' ' ' LEU . 3.9 tp -72.77 -34.37 66.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.96 -31.73 67.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.498 ' HB3' HG22 ' A' ' 88' ' ' VAL . 1.9 mmtp -77.14 -46.07 24.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.842 ' CE3' HD12 ' A' ' 85' ' ' LEU . 64.1 t-105 -58.37 -38.27 76.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.055 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -71.5 -25.59 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' O ' HD13 ' A' ' 19' ' ' ILE . 2.6 tttp -87.63 47.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.516 HG21 HG11 ' A' ' 84' ' ' VAL . 2.3 mm -132.59 133.82 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CG ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.49 0.186 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -138.2 171.0 15.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.836 HD21 HD21 ' A' ' 13' ' ' LEU . 2.1 mm? -62.05 -26.5 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -61.7 -43.07 99.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -65.81 -35.95 82.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.997 HG21 HG11 ' A' ' 7' ' ' VAL . 5.0 mt -64.11 -50.57 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -51.21 -44.42 29.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -62.67 -39.83 95.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.632 1.207 . . . . 0.0 107.958 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.514 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.44 -50.28 74.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -34.74 78.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.085 . . . . 0.0 109.973 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -41.25 94.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -34.9 79.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.959 ' O ' HG12 ' A' ' 46' ' ' VAL . 76.5 mt -60.95 -47.79 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.218 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -39.71 75.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.441 1.088 . . . . 0.0 110.245 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.3 -37.95 76.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.556 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 19.9 t80 -76.02 -4.4 41.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 74.53 44.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.358 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.959 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.9 p -124.88 150.07 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.18 132.25 95.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -18.84 18.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.537 1.809 . . . . 0.0 111.052 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.34 -11.48 56.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.411 HD12 HG22 ' A' ' 46' ' ' VAL . 27.3 mt -72.53 -32.53 66.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.665 HD11 HD22 ' A' ' 85' ' ' LEU . 10.2 tp -78.88 -16.59 56.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.96 -22.03 58.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.0 p -125.85 157.32 37.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.416 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.471 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 6.9 t -70.12 -30.77 68.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.07 -45.38 93.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.643 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -68.43 -36.66 84.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.576 ' SG ' HD12 ' A' ' 51' ' ' LEU . 1.8 m -63.8 -41.45 97.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -41.3 91.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -36.36 83.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.778 HG21 HD13 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -71.99 -73.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.228 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -45.45 -32.94 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.368 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.24 -49.01 78.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -98.32 22.05 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.37 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 78' ' ' LEU . 14.1 tp -110.38 -23.87 10.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.603 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 7.9 tm0? -53.95 -45.18 99.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.324 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.96 -39.86 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.781 ' HA ' HG22 ' A' ' 70' ' ' THR . 48.8 m -67.93 -11.17 58.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.876 HD11 ' CG ' ' A' ' 79' ' ' TYR . 9.1 mt -68.78 -46.36 68.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -75.81 -6.73 52.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.781 HG22 ' HA ' ' A' ' 67' ' ' SER . 1.2 t -114.86 -7.68 12.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 110.483 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.618 ' HA3' HD12 ' A' ' 75' ' ' LEU . . . -83.51 -99.45 0.56 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.427 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.7 p 167.18 -173.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.72 -41.98 96.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -72.04 -47.5 51.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.651 ' C ' HD13 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -59.31 -33.51 71.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.504 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 1.8 ttp180 -62.56 -45.24 93.84 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.57 1.169 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -31.98 67.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.614 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -65.17 -47.09 78.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.394 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.876 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.1 t80 -64.75 -43.43 93.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.758 ' OD1' HD13 ' A' ' 101' ' ' LEU . 1.5 t-20 -57.51 -30.66 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.528 HG23 ' CH2' ' A' ' 16' ' ' TRP . 75.4 m -69.41 -48.13 61.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.364 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.778 HD13 HG21 ' A' ' 60' ' ' ILE . 10.6 mt -65.76 -34.7 72.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.907 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -55.28 -58.77 6.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.578 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.6 t -58.17 -41.07 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.842 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.64 -39.05 73.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.367 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -61.72 -52.45 64.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.609 ' SG ' HG22 ' A' ' 104' ' ' ILE . 0.7 OUTLIER -59.02 -35.46 73.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 108.3 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.853 HG12 ' OE1' ' A' ' 12' ' ' GLU . 4.3 t -63.33 -40.44 89.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.471 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 21.3 m80 -56.31 -40.27 74.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.54 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.456 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 6.3 mm-40 -91.16 -9.2 46.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.358 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 64.89 43.75 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.456 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.0 mp -76.04 141.45 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.74 92.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.8 m -111.38 173.42 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -137.25 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -123.01 171.3 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.693 HG22 ' CG ' ' A' ' 80' ' ' ASN . 57.9 m -58.86 -48.7 80.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -32.11 67.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -68.61 -34.46 75.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.872 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -71.17 -38.52 72.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.758 HD13 ' OD1' ' A' ' 80' ' ' ASN . 0.5 OUTLIER -56.2 -52.09 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -70.57 -41.05 72.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -61.25 -61.83 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.907 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 2.3 pt -56.14 -27.71 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.596 HG12 HG21 ' A' ' 151' ' ' THR . 2.2 tt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.32 164.56 40.34 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -25.09 12.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -64.52 -36.98 85.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.596 HG21 HG12 ' A' ' 147' ' ' ILE . 0.4 OUTLIER -71.43 -44.42 64.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.899 ' O ' HG23 ' A' ' 156' ' ' VAL . 18.9 mt -58.73 -41.19 85.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -68.24 -36.43 79.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.48 73.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.61 ' CE2' HG23 ' A' ' 159' ' ' VAL . 25.9 t-105 -62.76 -48.57 78.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 107.965 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 152' ' ' LEU . 41.4 t -44.87 -43.13 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -38.73 92.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.403 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 155' ' ' TRP . 71.8 t -63.97 -45.16 97.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.68 HG11 ' N ' ' A' ' 192' ' ' GLY . 22.7 t -64.04 -42.32 95.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -64.93 -38.03 89.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -57.88 10.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.749 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -160.69 64.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.649 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -35.98 -46.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.45 ' O ' ' CD2' ' A' ' 164' ' ' PHE . 20.1 p90 -113.69 105.55 13.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.636 ' N ' HG22 ' A' ' 274' ' ' VAL . 1.4 p -174.06 164.69 2.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.32 18.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.12 3.52 51.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.749 HG21 ' O ' ' A' ' 162' ' ' LYS . 0.3 OUTLIER -106.18 -33.37 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 4.9 mm -60.21 -43.59 94.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.03 -36.0 2.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.438 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 5.8 mmm -61.85 -42.09 98.62 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.576 1.172 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.615 ' HE2' HD12 ' A' ' 267' ' ' ILE . 1.5 t80 -57.48 -44.45 84.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 53.2 p -59.84 -34.68 73.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 171' ' ' MET . . . -59.76 -45.85 90.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.354 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.32 -21.0 54.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.6 p -87.83 13.74 10.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.74 102.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.356 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 42.29 70.96 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.531 ' HB3' HD21 ' A' ' 184' ' ' LEU . . . -103.66 -175.46 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.999 HG21 HD11 ' A' ' 247' ' ' ILE . 1.3 p -117.65 -176.92 0.41 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.653 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.3 Cg_endo -75.06 -44.27 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -69.88 -51.77 30.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.36 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.99 -48.97 72.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 179' ' ' ALA . 82.4 mt -66.49 -39.89 88.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.58 1.175 . . . . 0.0 109.226 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -54.98 -33.43 62.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.795 ' CG2' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -73.31 -37.46 66.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 1.0 OUTLIER -61.47 -43.4 98.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.959 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.667 HD11 HG12 ' A' ' 266' ' ' ILE . 53.3 mt -84.41 -24.08 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -53.6 -43.27 68.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 191' ' ' VAL . 9.9 t -95.75 -56.23 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.382 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.896 HG21 ' CE ' ' A' ' 198' ' ' MET . 0.3 OUTLIER 39.79 -163.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.732 ' N ' HG13 ' A' ' 191' ' ' VAL . . . -178.25 40.53 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 193' ' ' GLY . . . . . 0.456 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -120.76 30.03 5.65 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 1.3 t60 84.55 131.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 0.795 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -37.73 80.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.52 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.473 ' HA ' ' CE ' ' A' ' 200' ' ' MET . . . -58.69 -49.76 76.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.896 ' CE ' HG21 ' A' ' 191' ' ' VAL . 0.3 OUTLIER -59.84 -33.04 71.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 0.0 111.025 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.31 -54.9 29.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 197' ' ' ALA . 3.5 ptp -63.26 -28.34 69.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.81 ' HB2' HD11 ' A' ' 273' ' ' ILE . 3.2 tp -71.77 -43.11 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -61.76 -32.58 72.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -46.5 73.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.341 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.76 -40.16 84.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.805 HD11 ' HA ' ' A' ' 266' ' ' ILE . 13.6 mt -64.43 -55.35 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -58.99 -42.04 89.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.71 -29.47 70.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 208' ' ' GLU . . . . . 0.661 ' HG3' HD13 ' A' ' 268' ' ' LEU . 2.8 mm-40 -62.41 -42.6 99.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.236 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.475 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -65.38 -47.76 75.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.97 74.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 21.6 t-105 -61.12 -51.56 68.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -38.07 73.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -59.65 -41.58 90.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.314 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 230' ' ' GLU . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 232' ' ' ARG . 1.2 mt-10 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 231' ' ' PRO . . . . . 0.433 ' CB ' ' CB ' ' A' ' 235' ' ' ASP . 18.4 Cg_endo -74.97 120.07 5.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.491 1.784 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 232' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 235' ' ' ASP . 0.1 OUTLIER -85.75 174.37 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.516 ' HA2' ' CZ2' ' A' ' 265' ' ' TRP . . . -37.06 -38.7 0.36 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 234' ' ' SER . . . . . 0.577 ' O ' ' HB3' ' A' ' 237' ' ' ALA . 0.6 OUTLIER -62.38 -52.3 64.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 110.049 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 235' ' ' ASP . . . . . 0.433 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.0 OUTLIER -61.76 -48.37 81.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.866 HG12 HG22 ' A' ' 258' ' ' VAL . 20.2 mt -61.79 -14.67 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 237' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -83.2 -22.79 33.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 98.02 18.59 26.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 2.2 t -89.12 -37.68 14.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.395 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 23.9 m -105.86 -0.3 25.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 14.3 t -144.1 155.65 44.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 242' ' ' THR . . . . . 0.56 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -96.14 174.79 6.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.631 HD22 HD12 ' A' ' 247' ' ' ILE . 3.1 tm? -59.38 -54.7 43.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -52.14 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.26 -32.4 72.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.11 -69.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.999 HD11 HG21 ' A' ' 180' ' ' THR . 0.7 OUTLIER -46.68 -38.57 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.24 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.59 -51.95 55.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 249' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.44 -31.41 72.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 7.7 mtm -66.02 -30.51 71.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.8 p -116.87 22.18 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 255' ' ' PRO . 53.9 t-80 -84.41 172.4 11.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.574 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 9.4 m120 -120.37 112.79 34.11 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.108 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.5 Cg_endo -74.98 159.2 98.36 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.043 -0.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -74.94 121.2 6.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.558 1.82 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 256' ' ' ILE . . . . . 0.464 HG22 HG23 ' A' ' 258' ' ' VAL . 7.6 mt -88.17 132.94 38.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.546 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.1 Cg_endo -75.03 55.58 4.0 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.866 HG22 HG12 ' A' ' 236' ' ' ILE . 2.2 t -64.45 -62.77 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 259' ' ' GLY . . . . . 0.421 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.03 -35.95 91.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -32.37 71.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.572 HG22 ' CZ2' ' A' ' 265' ' ' TRP . 8.7 mt -71.51 -45.81 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 262' ' ' TYR . . . . . 0.653 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 0.9 OUTLIER -63.83 -48.1 78.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -55.96 -31.56 63.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -68.0 -35.11 77.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.572 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 36.4 m0 -61.99 -47.31 85.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 108.008 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.927 HG22 HD11 ' A' ' 270' ' ' LEU . 58.4 mt -57.1 -46.68 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.615 HD12 ' HE2' ' A' ' 172' ' ' PHE . 0.2 OUTLIER -60.14 -31.15 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 268' ' ' LEU . . . . . 0.661 HD13 ' HG3' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -60.77 -56.58 19.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.667 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.49 -57.42 16.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.927 HD11 HG22 ' A' ' 266' ' ' ILE . 12.5 mt -44.48 -35.42 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -62.88 -45.06 94.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 269' ' ' GLY . 1.3 ttmp? -69.01 -37.47 78.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.403 1.064 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 0.81 HD11 ' HB2' ' A' ' 201' ' ' LEU . 48.8 mt -62.29 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.357 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.636 HG22 ' N ' ' A' ' 165' ' ' SER . 55.1 t -71.21 -37.01 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -68.46 -16.26 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -37.79 18.19 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.88 15.2 29.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 77.9 p -71.93 113.76 23.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.943 HG11 ' CG2' ' A' ' 34' ' ' ILE . 4.7 t . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.608 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.4 mt -106.26 158.31 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.92 -179.87 7.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.0 -57.72 18.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.72 -39.37 21.32 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' A' ' 89' ' ' HIS . 1.3 mt-10 -58.87 -40.93 85.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 0.77 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.597 HD11 HD13 ' A' ' 31' ' ' LEU . 6.1 tp -70.27 -35.47 73.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -33.89 76.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.42 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -76.15 -45.85 31.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.276 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.841 ' CE3' HD12 ' A' ' 85' ' ' LEU . 12.9 t-105 -56.64 -51.96 66.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.038 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.64 -24.71 65.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -13.53 60.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.454 HG13 ' CG1' ' A' ' 84' ' ' VAL . 25.9 mm -65.73 142.3 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.475 0.179 . . . . 0.0 111.017 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -142.31 174.57 10.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.597 HD13 HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.43 -26.16 67.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -45.68 92.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -35.86 82.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.651 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.943 ' CG2' HG11 ' A' ' 7' ' ' VAL . 4.1 mt -63.73 -50.57 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.46 -42.63 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -62.51 -41.58 98.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.614 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.23 -50.63 73.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -34.83 77.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 2.0 mtp180 -60.77 -35.92 77.64 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.5 ' OE2' ' CZ ' ' A' ' 43' ' ' ARG . 17.8 mm-40 -71.2 -34.83 71.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.937 ' O ' HG12 ' A' ' 46' ' ' VAL . 96.0 mt -61.03 -50.11 74.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 9.2 pt-20 -61.97 -31.97 72.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.218 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.5 ' CZ ' ' OE2' ' A' ' 40' ' ' GLU . 11.7 mtp180 -62.85 -38.71 91.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 46.6 t80 -79.08 -2.58 41.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 73.76 48.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.937 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.6 p -125.04 150.0 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.066 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.65 131.24 95.07 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.84 18.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.74 -13.06 55.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.431 1.082 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 60' ' ' ILE . 25.2 mt -74.19 -29.28 61.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 0.0 109.236 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.772 HD11 HD22 ' A' ' 85' ' ' LEU . 9.3 tp -79.61 -14.06 59.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.08 -22.04 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.89 152.56 45.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.579 1.174 . . . . 0.0 110.39 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.509 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 5.1 p -70.04 -28.38 65.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.973 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -63.3 -49.98 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.65 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -70.35 -34.93 68.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.567 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -63.88 -42.79 97.42 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -59.91 -43.04 95.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -58.77 -40.59 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.65 HD12 ' O ' ' A' ' 56' ' ' GLY . 1.1 mp -67.7 -69.8 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.492 ' N ' HG22 ' A' ' 60' ' ' ILE . 14.6 tp -43.46 -34.3 1.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.09 -49.13 59.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -91.01 19.92 5.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 110.314 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.522 HD23 ' CD2' ' A' ' 79' ' ' TYR . 15.5 tp -111.56 -27.06 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.605 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -53.03 -45.11 98.35 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.234 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.91 -40.38 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.81 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.17 -12.1 60.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.942 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.98 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.6 mt -71.08 -44.12 66.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -7.15 51.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.81 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.0 t -120.16 -5.54 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.594 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -81.29 -98.78 0.39 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.492 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 33.7 p 166.42 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.04 -41.07 86.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -46.61 60.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.594 HD13 ' HA2' ' A' ' 71' ' ' GLY . 6.7 tt -59.74 -34.38 72.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.267 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.515 ' HA ' HD22 ' A' ' 68' ' ' LEU . 12.0 ttt180 -61.08 -48.94 79.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -35.88 65.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.953 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -61.2 -47.32 86.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.98 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.7 t80 -63.07 -43.36 98.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.873 ' OD1' HD13 ' A' ' 101' ' ' LEU . 1.7 t-20 -56.21 -33.52 65.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.815 HG23 ' HH2' ' A' ' 16' ' ' TRP . 20.4 m -70.72 -44.84 66.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.567 HG23 ' SG ' ' A' ' 57' ' ' CYS . 21.7 mt -63.77 -39.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 1.03 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -57.92 -54.85 42.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.565 HG12 ' HE3' ' A' ' 16' ' ' TRP . 11.0 t -58.32 -44.45 88.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.841 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.9 -41.22 77.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 61.3 t80 -67.67 -49.58 62.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.572 ' SG ' HG21 ' A' ' 94' ' ' VAL . 4.4 p -60.12 -32.17 70.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.8 t -60.86 -46.72 95.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.509 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 20.7 t-80 -71.78 -23.76 61.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.919 ' CG ' HD11 ' A' ' 92' ' ' ILE . 4.9 tp-100 -85.08 -20.71 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 73.5 42.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.919 HD11 ' CG ' ' A' ' 90' ' ' GLN . 4.9 mm -76.18 141.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -75.93 70.82 2.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.572 HG21 ' SG ' ' A' ' 87' ' ' CYS . 17.1 m -110.97 173.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -135.06 -54.87 0.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.0 170.88 7.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.704 HG22 ' CG ' ' A' ' 80' ' ' ASN . 54.1 m -60.6 -44.52 96.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -61.16 -31.14 70.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -32.0 72.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.843 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -68.55 -47.67 66.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.873 HD13 ' OD1' ' A' ' 80' ' ' ASN . 2.1 mp -56.21 -37.66 69.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -73.06 -47.03 48.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.63 ' HB3' HG21 ' A' ' 92' ' ' ILE . 0.1 OUTLIER -66.72 -58.9 4.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.03 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pt -54.7 -27.98 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 1.3 tm-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.656 ' CG2' HG21 ' A' ' 186' ' ' THR . 1.1 tt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.73 159.77 54.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.8 14.42 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -64.72 -37.25 86.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.593 ' OG1' HD21 ' A' ' 175' ' ' LEU . 0.7 OUTLIER -69.06 -33.71 74.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 1.035 HD21 HG22 ' A' ' 186' ' ' THR . 25.5 mt -69.39 -40.59 77.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.4 -35.27 73.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -67.44 -49.26 64.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.56 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 26.5 t-105 -62.37 -48.21 80.79 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 152' ' ' LEU . 37.8 t -50.91 -43.38 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -61.03 -31.82 71.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.669 HG11 ' HG2' ' A' ' 171' ' ' MET . 52.9 t -75.52 -40.56 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.647 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 13.0 t -64.77 -38.69 83.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.22 -30.61 48.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -88.77 3.42 51.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.706 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 8.9 mttt -161.39 -72.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.97 -48.25 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 277' ' ' TYR . 34.0 p90 -156.21 121.15 4.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.533 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -176.65 170.23 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -19.04 18.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.423 1.749 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -93.88 0.64 56.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -104.25 -33.97 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 22.9 mm -53.93 -45.07 99.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.204 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.01 -35.48 3.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.669 ' HG2' HG11 ' A' ' 158' ' ' VAL . 0.8 OUTLIER -62.22 -38.48 89.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.622 ' HE2' HD12 ' A' ' 267' ' ' ILE . 3.7 t80 -62.98 -44.19 96.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -38.42 75.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.9 90.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.593 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.12 -11.56 59.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.738 ' HB2' HD21 ' A' ' 184' ' ' LEU . 1.6 p -102.84 14.11 32.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.965 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 178' ' ' GLY . 3.2 tt0 -42.94 100.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.12 70.08 0.26 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.76 -177.11 3.27 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.443 0.731 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.837 HG21 HD11 ' A' ' 247' ' ' ILE . 0.6 OUTLIER -110.25 -173.0 0.24 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.132 . . . . 0.0 110.442 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -74.98 -41.82 0.61 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.562 1.822 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -70.16 -43.71 70.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.38 -49.23 74.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.738 HD21 ' HB2' ' A' ' 176' ' ' SER . 38.6 mt -64.25 -41.43 96.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 185' ' ' ASN . . . . . 0.402 ' O ' ' ND2' ' A' ' 189' ' ' ASN . 26.3 m-20 -57.73 -38.01 74.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 186' ' ' THR . . . . . 1.035 HG22 HD21 ' A' ' 152' ' ' LEU . 1.0 OUTLIER -60.73 -46.99 88.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 0.0 110.408 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.56 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.4 OUTLIER -66.22 -45.41 80.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.438 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 1.1 mp -69.23 -10.14 56.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 189' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 185' ' ' ASN . 4.8 m-80 -88.33 -29.87 20.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 187' ' ' MET . 6.6 t -92.76 -5.45 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.584 HG22 ' H ' ' A' ' 192' ' ' GLY . 1.0 OUTLIER -52.61 -175.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.584 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -171.98 54.08 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 193' ' ' GLY . . . . . 0.557 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -106.88 26.52 19.12 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 80.1 151.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.59 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -70.82 -37.87 73.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.15 76.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.01 -49.91 76.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.484 ' CE ' HG11 ' A' ' 191' ' ' VAL . 1.7 mmt -58.01 -33.37 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -60.03 -52.08 66.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.9 mtp -66.93 -29.33 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.859 HD12 ' HA3' ' A' ' 269' ' ' GLY . 12.3 tp -62.37 -42.82 99.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 202' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 0.0 OUTLIER -68.36 -29.1 67.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 203' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 2.7 tt0 -66.72 -46.54 75.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.233 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -48.87 43.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.618 HD11 ' HA ' ' A' ' 266' ' ' ILE . 12.9 mt -58.33 -55.62 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 206' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 49.4 t-20 -57.64 -37.72 73.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 207' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 23.1 mt-10 -66.59 -29.51 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 208' ' ' GLU . . . . . 0.59 ' HG3' HD13 ' A' ' 268' ' ' LEU . 0.0 OUTLIER -62.71 -44.24 96.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.481 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -65.39 -45.03 85.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -53.98 -46.5 71.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -60.87 -33.41 73.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 212' ' ' TRP . . . . . 0.791 ' CZ3' HD11 ' A' ' 215' ' ' LEU . 0.0 OUTLIER -57.17 -66.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -58.01 -32.45 67.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -58.24 -35.66 72.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 215' ' ' LEU . . . . . 0.791 HD11 ' CZ3' ' A' ' 212' ' ' TRP . 1.8 pp . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 231' ' ' PRO . . . . . 0.849 ' CG ' HG21 ' A' ' 256' ' ' ILE . 18.5 Cg_endo -75.05 74.06 4.15 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 232' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 235' ' ' ASP . 18.9 ptt85 -86.63 151.48 23.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.483 ' HA2' ' CZ2' ' A' ' 265' ' ' TRP . . . -35.06 -39.49 0.18 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 234' ' ' SER . . . . . 0.646 ' O ' ' HB3' ' A' ' 237' ' ' ALA . 0.1 OUTLIER -64.74 -53.07 52.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.988 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 235' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 232' ' ' ARG . 0.5 OUTLIER -59.76 -48.02 83.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.853 HG12 HG22 ' A' ' 258' ' ' VAL . 44.7 mt -59.95 -17.32 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 237' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -78.74 -22.61 46.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 96.64 19.53 27.02 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.26 -38.24 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 11.2 m -106.68 -1.04 23.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 32.7 t -144.27 148.8 35.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 242' ' ' THR . . . . . 0.423 ' CG2' ' H ' ' A' ' 245' ' ' GLU . 1.9 t -90.81 -177.14 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.41 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.59 HD22 HD12 ' A' ' 247' ' ' ILE . 2.6 tm? -69.43 -58.78 3.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -47.81 -54.15 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 245' ' ' GLU . . . . . 0.423 ' H ' ' CG2' ' A' ' 242' ' ' THR . 30.8 mt-10 -62.1 -31.43 71.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 246' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -65.06 -68.48 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.36 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.837 HD11 HG21 ' A' ' 180' ' ' THR . 0.8 OUTLIER -41.14 -38.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 248' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -61.75 -45.44 96.24 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 249' ' ' TRP . . . . . 0.464 ' N ' ' O ' ' A' ' 246' ' ' GLN . 0.1 OUTLIER -58.85 -40.12 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 12.8 mtm -58.75 -31.49 68.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 251' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 251' ' ' THR . 31.6 m -118.01 22.45 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 255' ' ' PRO . 44.6 t-80 -82.29 171.27 14.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.519 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 9.4 t30 -121.22 111.29 33.79 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.519 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.2 Cg_endo -75.07 158.95 98.61 Favored 'Cis proline' 0 C--N 1.361 1.221 0 C-N-CA 120.948 -2.521 . . . . 0.0 110.99 -0.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.483 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.94 119.66 5.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 256' ' ' ILE . . . . . 0.849 HG21 ' CG ' ' A' ' 231' ' ' PRO . 7.1 mt -93.61 134.44 26.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 256' ' ' ILE . 18.4 Cg_endo -75.01 55.61 4.01 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.853 HG22 HG12 ' A' ' 236' ' ' ILE . 2.0 t -59.09 -62.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 259' ' ' GLY . . . . . 0.453 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.21 -41.71 99.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 260' ' ' GLU . . . . . 0.535 ' HA ' ' CG ' ' A' ' 263' ' ' LYS . 2.5 tt0 -63.66 -31.72 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.593 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 10.6 mt -71.67 -45.51 66.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 262' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 0.9 OUTLIER -63.42 -54.25 39.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.543 ' HB3' HD11 ' A' ' 184' ' ' LEU . 0.0 OUTLIER -55.72 -31.37 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.416 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 2.9 mtt85 -66.81 -35.13 79.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.357 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.593 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 40.6 m0 -62.76 -45.4 92.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.952 HG22 ' CD1' ' A' ' 270' ' ' LEU . 69.1 mt -57.19 -47.87 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.622 HD12 ' HE2' ' A' ' 172' ' ' PHE . 0.4 OUTLIER -60.42 -34.41 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 268' ' ' LEU . . . . . 0.59 HD13 ' HG3' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -61.3 -55.44 31.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.859 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -61.87 -61.33 6.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.952 ' CD1' HG22 ' A' ' 266' ' ' ILE . 12.0 mt -43.35 -32.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.54 -47.45 81.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.8 OUTLIER -69.27 -37.71 78.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 0.762 ' CD1' HD13 ' A' ' 201' ' ' LEU . 94.4 mt -61.08 -45.05 99.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 270' ' ' LEU . 74.6 t -69.37 -45.66 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -16.33 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 3.9 ttt -95.93 -37.84 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 164' ' ' PHE . 5.9 m-85 -96.32 16.33 18.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.53 150.27 79.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.997 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.818 HG11 HG21 ' A' ' 34' ' ' ILE . 2.8 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.621 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.3 mt -106.67 155.01 20.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -86.28 179.78 6.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.58 1.175 . . . . 0.0 109.985 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.26 -57.5 19.39 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.552 1.157 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.16 -40.56 24.15 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -39.85 83.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 0.803 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.532 ' CD1' HD13 ' A' ' 31' ' ' LEU . 6.9 tp -68.03 -41.77 81.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -31.83 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.89 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -77.74 -43.76 29.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.853 ' CE3' HD12 ' A' ' 85' ' ' LEU . 33.8 t-105 -56.76 -62.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -50.46 -32.69 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.368 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -46.49 75.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.89 HD12 ' O ' ' A' ' 15' ' ' LYS . 3.3 mp -58.17 146.19 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.701 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.467 0.175 . . . . 0.0 111.1 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.92 173.36 11.62 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -62.64 -27.89 69.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -61.59 -46.1 91.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -62.8 -35.78 80.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.408 1.068 . . . . 0.0 109.568 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.818 HG21 HG11 ' A' ' 7' ' ' VAL . 3.5 mt -62.86 -49.78 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.13 -42.92 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.477 ' CZ2' ' HB2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -62.65 -41.17 98.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 108.012 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.617 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.27 -53.05 62.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.884 ' HA ' HD12 ' A' ' 41' ' ' LEU . 6.1 p -59.68 -36.84 77.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -60.89 -40.17 92.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.452 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 15.9 tm-20 -63.13 -34.32 77.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 38' ' ' SER . 9.2 mt -68.38 -31.55 71.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.53 -42.58 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -74.42 -19.82 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.492 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -79.75 -4.75 53.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 71.12 35.21 1.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' ' 41' ' ' LEU . 7.3 p -124.97 150.21 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -64.36 129.23 94.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.243 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -18.93 18.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.82 -11.29 57.53 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.046 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 29.5 mt -72.47 -32.31 66.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.457 HD11 HD22 ' A' ' 85' ' ' LEU . 8.3 tp -72.71 -21.05 61.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.368 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -21.8 63.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.9 p -125.53 154.31 42.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.552 ' HA ' ' CE1' ' A' ' 89' ' ' HIS . 9.8 p -70.08 -28.95 65.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.95 -38.59 76.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.668 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -70.94 -43.18 58.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.419 1.074 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.547 ' HB2' HG23 ' A' ' 82' ' ' ILE . 10.9 p -66.73 -35.79 80.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -59.77 -38.33 81.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -68.67 -33.57 74.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.681 HG12 HD22 ' A' ' 41' ' ' LEU . 1.2 mp -71.47 -72.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.58 HD11 ' CE1' ' A' ' 79' ' ' TYR . 12.1 tp -41.89 -35.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.69 -48.85 81.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.425 1.078 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -96.2 22.01 8.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 110.335 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.555 HD23 ' CD2' ' A' ' 79' ' ' TYR . 16.3 tp -109.76 -25.61 10.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.603 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -53.99 -45.07 99.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.01 -40.39 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.569 1.826 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.803 ' HA ' HG22 ' A' ' 70' ' ' THR . 1.9 m -68.65 -11.8 60.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.951 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.4 mt -70.98 -43.87 67.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -74.36 -7.09 51.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.803 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.78 -5.46 10.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.384 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.769 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -80.69 -98.53 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.587 1.18 . . . . 0.0 111.013 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 16.3 p 167.84 -176.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.72 -40.95 96.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.34 -47.06 58.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.769 HD13 ' CA ' ' A' ' 71' ' ' GLY . 6.9 tt -60.9 -34.37 74.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.332 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.541 ' HA ' HD22 ' A' ' 68' ' ' LEU . 54.3 ttm-85 -61.34 -42.51 98.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -62.92 -30.56 71.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -65.61 -47.36 75.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.951 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.9 t80 -58.69 -43.42 89.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -58.35 -32.24 68.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.617 HG21 ' HB2' ' A' ' 37' ' ' ALA . 24.1 m -64.78 -48.12 75.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.547 HG23 ' HB2' ' A' ' 57' ' ' CYS . 5.4 mt -68.37 -37.64 78.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.986 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -55.23 -57.44 11.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.547 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.7 t -57.97 -41.05 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.853 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.74 -36.71 70.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -61.4 -51.5 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.468 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 0.5 OUTLIER -58.67 -34.45 71.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 108.263 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 t -64.53 -39.38 85.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 54' ' ' SER . 29.7 m170 -56.79 -40.11 75.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.548 ' O ' ' HG2' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -96.43 11.89 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 44.95 42.54 6.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 110.386 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.546 HD11 ' CB ' ' A' ' 90' ' ' GLN . 3.1 mt -74.24 141.51 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.79 106.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.581 HG23 HG13 ' A' ' 19' ' ' ILE . 28.2 m -128.93 174.15 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.92 -49.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.67 170.75 13.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.52 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.4 m -60.05 -45.99 91.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.16 -31.64 63.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.29 -36.58 79.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.366 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.832 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -71.03 -39.27 72.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 2.4 mm? -56.44 -47.67 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -72.53 -41.78 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -62.71 -62.45 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.986 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.6 pt -56.39 -27.95 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.338 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.555 HG12 HG21 ' A' ' 151' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.89 160.67 52.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.29 13.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -65.08 -37.33 87.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.555 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -69.6 -38.44 77.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.381 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 156' ' ' VAL . 19.1 mt -57.59 -43.23 84.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -67.33 -30.85 70.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -68.95 -49.2 60.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.572 ' CD1' ' HG3' ' A' ' 187' ' ' MET . 35.5 t-105 -62.42 -46.84 86.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 108.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 152' ' ' LEU . 53.8 t -46.68 -41.69 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -69.24 -33.65 73.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.226 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.83 HG11 ' SD ' ' A' ' 171' ' ' MET . 86.1 t -66.47 -45.03 90.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.748 HG11 ' N ' ' A' ' 192' ' ' GLY . 37.9 t -67.26 -46.71 83.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -67.52 -18.69 65.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.01 -40.53 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.697 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -125.16 -58.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.375 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.28 -48.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 277' ' ' TYR . 7.7 p90 -158.26 85.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.081 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.79 170.65 10.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.23 18.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -97.26 7.7 46.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.51 -34.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 3.2 mt -55.99 -46.98 99.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.2 Cg_endo -74.98 -37.03 2.22 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.83 ' SD ' HG11 ' A' ' 158' ' ' VAL . 0.1 OUTLIER -62.61 -30.15 71.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.823 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 3.5 t80 -69.17 -44.46 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.9 p -59.78 -36.61 77.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.85 92.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.363 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.539 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.2 -9.99 59.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.679 ' OG ' HD21 ' A' ' 184' ' ' LEU . 3.2 t -108.5 14.27 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.064 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 176' ' ' SER . 0.2 OUTLIER -37.88 107.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.99 71.22 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.95 -177.72 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.929 HG21 HD11 ' A' ' 247' ' ' ILE . 0.6 OUTLIER -115.85 -172.92 0.23 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -41.34 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -70.21 -40.38 74.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.71 -49.44 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.679 HD21 ' OG ' ' A' ' 176' ' ' SER . 63.3 mt -66.7 -32.37 73.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 185' ' ' ASN . . . . . 0.478 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 3.3 m-20 -63.41 -32.62 74.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.823 HG23 HD11 ' A' ' 152' ' ' LEU . 0.6 OUTLIER -69.6 -45.43 68.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.453 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.572 ' HG3' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -66.87 -43.44 83.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.042 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.728 HD22 ' HE1' ' A' ' 198' ' ' MET . 10.9 mt -81.73 -4.99 57.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 189' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 1.9 m-20 -77.69 -49.87 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.555 HG23 ' N ' ' A' ' 191' ' ' VAL . 6.8 t -79.89 -58.09 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.77 HG13 ' N ' ' A' ' 192' ' ' GLY . 0.3 OUTLIER 38.57 -161.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.77 ' N ' HG13 ' A' ' 191' ' ' VAL . . . 173.77 37.84 0.04 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.55 1.156 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 193' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -115.94 25.66 9.32 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.505 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 5.3 m170 87.51 145.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 0.787 . . . . 0.0 109.579 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.35 -37.15 77.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.04 76.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -58.92 -49.5 77.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.728 ' HE1' HD22 ' A' ' 188' ' ' LEU . 1.1 mmt -58.07 -36.79 73.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -62.62 -53.86 48.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 42.3 mtm -58.77 -29.5 66.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.848 HD12 ' HA3' ' A' ' 269' ' ' GLY . 10.7 tp -63.05 -43.0 99.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.364 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 202' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 12.7 tttt -68.51 -28.85 67.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 203' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.2 tt0 -67.09 -45.11 78.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -49.35 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.931 HD11 ' HA ' ' A' ' 266' ' ' ILE . 18.4 mt -59.61 -55.4 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 206' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 57.6 t-20 -58.32 -36.25 73.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 207' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 1.7 tt0 -65.27 -29.74 70.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.398 1.062 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -31.3 69.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.623 ' HB2' ' HA3' ' A' ' 233' ' ' GLY . . . -69.1 -49.68 54.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.25 -48.08 74.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -66.77 -36.81 83.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 212' ' ' TRP . . . . . 0.761 ' CE3' HD11 ' A' ' 215' ' ' LEU . 45.3 t-105 -59.09 -63.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 107.969 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -55.92 -33.01 64.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.384 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 14.4 ttt85 -61.82 -29.45 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 215' ' ' LEU . . . . . 0.761 HD11 ' CE3' ' A' ' 212' ' ' TRP . 2.6 pp . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 231' ' ' PRO . . . . . 0.425 ' CB ' ' CB ' ' A' ' 235' ' ' ASP . 18.2 Cg_endo -75.03 129.1 12.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.85 -147.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.623 ' HA3' ' HB2' ' A' ' 209' ' ' ALA . . . -71.71 -38.06 61.23 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.59 1.181 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 234' ' ' SER . . . . . 0.413 ' O ' ' HB ' ' A' ' 239' ' ' THR . 58.0 m -60.2 -45.6 92.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 235' ' ' ASP . . . . . 0.425 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.0 OUTLIER -74.55 -47.77 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.712 HG12 HG22 ' A' ' 258' ' ' VAL . 89.3 mt -61.85 -14.13 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 237' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 233' ' ' GLY . . . -96.84 -0.82 47.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 1.075 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 71.47 19.72 77.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.413 1.071 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 239' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 234' ' ' SER . 0.8 OUTLIER -90.45 -37.65 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.45 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 240' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 240' ' ' THR . 16.4 m -102.6 0.11 32.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 1.1 m -140.49 155.05 46.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 242' ' ' THR . . . . . 0.467 ' CG2' ' HG3' ' A' ' 244' ' ' GLN . 0.7 OUTLIER -79.26 176.49 9.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.75 ' CD1' HD13 ' A' ' 247' ' ' ILE . 3.2 tm? -62.64 -59.43 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 244' ' ' GLN . . . . . 0.467 ' HG3' ' CG2' ' A' ' 242' ' ' THR . 1.7 pt20 -58.47 -20.77 48.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 245' ' ' GLU . . . . . 0.44 ' HB2' HG22 ' A' ' 242' ' ' THR . 5.4 mt-10 -70.81 -48.92 51.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.284 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 246' ' ' GLN . . . . . 0.517 ' CD ' ' CG1' ' A' ' 258' ' ' VAL . 1.8 tt0 -69.57 -56.05 8.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.24 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.929 HD11 HG21 ' A' ' 180' ' ' THR . 0.9 OUTLIER -51.1 -39.38 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.46 -51.57 57.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 249' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.08 -32.63 74.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.0 mtm -57.59 -33.44 68.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 251' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 251' ' ' THR . 30.6 m -118.25 22.58 12.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.575 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 53.4 t60 -75.87 170.65 15.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.575 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 7.9 m-80 -120.04 111.26 35.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.386 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.2 Cg_endo -75.09 159.54 97.78 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.965 0.13 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.497 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.99 120.04 5.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 256' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 4.9 mt -97.79 131.89 25.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.582 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.3 Cg_endo -74.98 54.66 3.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.712 HG22 HG12 ' A' ' 236' ' ' ILE . 1.5 t -64.4 -59.09 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.227 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 259' ' ' GLY . . . . . 0.431 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -60.92 -41.7 99.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -32.0 72.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.734 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 4.2 mt -65.78 -38.66 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 262' ' ' TYR . . . . . 0.452 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 4.7 t80 -63.79 -45.63 88.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -57.08 -34.93 68.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 14.9 mtt180 -68.64 -40.5 80.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.734 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 50.1 m0 -61.83 -44.18 97.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.029 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.931 ' HA ' HD11 ' A' ' 205' ' ' ILE . 77.7 mt -57.41 -45.57 85.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -31.04 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -53.61 52.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.848 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -61.78 -54.59 34.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.759 HD11 HG22 ' A' ' 266' ' ' ILE . 11.6 mt -48.03 -33.26 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 271' ' ' ASN . . . . . 0.538 ' HA ' HD11 ' A' ' 169' ' ' ILE . 46.5 t30 -63.29 -45.02 93.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -37.53 77.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 0.803 ' CD1' HD13 ' A' ' 201' ' ' LEU . 85.7 mt -62.75 -43.8 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 270' ' ' LEU . 75.6 t -72.28 -38.36 61.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -16.2 62.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -37.91 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 0.562 ' HB3' ' CD2' ' A' ' 164' ' ' PHE . 2.1 m-85 -101.54 15.29 29.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.37 114.15 35.38 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.035 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.046 HG11 HG21 ' A' ' 34' ' ' ILE . 24.6 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.608 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.5 mt -105.31 147.02 28.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.5 179.36 7.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 109.997 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.06 -58.4 14.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.41 -40.4 33.2 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.862 ' OE1' HG12 ' A' ' 88' ' ' VAL . 4.1 mm-40 -61.07 -34.98 75.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.847 HD21 HD21 ' A' ' 31' ' ' LEU . 3.3 tp -69.74 -39.83 76.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -56.05 -32.31 63.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.935 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.2 mptt -73.94 -45.85 47.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.89 ' CE3' HD12 ' A' ' 85' ' ' LEU . 53.9 t-105 -58.53 -42.45 87.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.042 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.17 -14.28 60.93 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -90.13 33.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.935 HD12 ' O ' ' A' ' 15' ' ' LYS . 1.7 mp -142.55 140.41 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.516 0.198 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.56 175.16 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.066 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.847 HD21 HD21 ' A' ' 13' ' ' LEU . 2.1 mm? -61.42 -29.23 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.538 ' HD2' ' CD2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -61.94 -40.04 94.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.538 ' CD2' ' HD2' ' A' ' 32' ' ' LYS . 59.5 m-70 -66.83 -35.99 81.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.605 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.046 HG21 HG11 ' A' ' 7' ' ' VAL . 6.4 mt -64.78 -49.94 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.09 -43.32 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 108.031 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.639 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.35 -51.01 71.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.762 ' HA ' HD12 ' A' ' 41' ' ' LEU . 3.7 p -58.44 -35.08 71.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -41.04 95.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.435 ' CB ' ' HG ' ' A' ' 78' ' ' LEU . 33.5 mm-40 -63.5 -34.75 78.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.871 ' O ' HG12 ' A' ' 46' ' ' VAL . 20.9 mt -63.96 -31.69 72.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -69.08 -42.31 76.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -64.31 -23.17 67.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -86.38 -10.96 53.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 73.76 45.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.871 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.5 p -125.01 149.92 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.6 135.69 96.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.358 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -18.74 18.35 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.598 1.841 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.44 -14.31 48.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.529 HD12 HG22 ' A' ' 46' ' ' VAL . 23.3 mt -74.82 -31.73 61.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD1' ' CD2' ' A' ' 85' ' ' LEU . 6.7 tp -78.07 -2.26 36.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -91.99 -22.11 20.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.8 154.86 41.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.363 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.09 -29.43 66.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.99 -49.48 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.694 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -64.19 -41.63 98.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.57 1.169 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.744 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.8 OUTLIER -63.87 -35.94 82.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -59.9 -40.16 87.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -30.78 68.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.694 HD12 ' O ' ' A' ' 56' ' ' GLY . 1.0 OUTLIER -72.93 -73.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.069 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.61 ' N ' HG22 ' A' ' 60' ' ' ILE . 11.6 tp -43.62 -35.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.39 -49.05 77.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.86 19.99 8.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.338 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.5 HD23 ' CD2' ' A' ' 79' ' ' TYR . 19.8 tp -109.37 -24.86 10.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.602 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -53.76 -45.04 98.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.229 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.87 -40.61 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.803 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.33 -11.83 60.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.566 1.166 . . . . 0.0 109.968 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.952 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.2 mt -70.78 -44.16 67.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.2 -7.32 52.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.803 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.34 -5.91 10.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.675 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -80.7 -97.98 0.36 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.591 1.182 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.455 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 23.3 p 167.56 -176.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 0.759 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -61.38 -40.71 95.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -47.07 59.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.675 HD13 ' CA ' ' A' ' 71' ' ' GLY . 8.0 tt -60.77 -34.51 74.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.525 ' HA ' HD22 ' A' ' 68' ' ' LEU . 6.4 tpt180 -61.08 -44.66 97.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -60.82 -30.75 70.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -66.07 -47.35 74.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.952 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.3 t80 -58.16 -41.62 84.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -60.5 -35.22 75.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 37' ' ' ALA . 61.0 m -62.41 -45.53 92.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.431 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.744 HG23 ' SG ' ' A' ' 57' ' ' CYS . 9.3 mt -72.02 -34.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.948 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -55.83 -60.07 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.602 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.5 t -58.59 -39.68 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.89 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.64 -39.88 74.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 44.9 t80 -59.92 -53.12 61.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.407 ' SG ' HD13 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -58.29 -36.19 72.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.356 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.862 HG12 ' OE1' ' A' ' 12' ' ' GLU . 4.4 t -62.04 -41.24 90.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.24 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -55.91 -40.21 72.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.578 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.556 ' CB ' HD12 ' A' ' 92' ' ' ILE . 0.6 OUTLIER -85.72 -20.09 29.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 78.98 41.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.679 HG22 HG13 ' A' ' 94' ' ' VAL . 1.3 mp -75.93 141.08 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -70.57 97.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.679 HG13 HG22 ' A' ' 92' ' ' ILE . 29.8 m -118.32 173.61 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.13 -45.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -132.82 170.92 14.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.513 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.2 m -60.16 -44.9 94.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' N ' ' OD2' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -55.26 -32.05 62.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -41.33 80.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.804 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -67.93 -37.86 82.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 0.8 OUTLIER -56.55 -46.2 80.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.68 -42.53 64.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -62.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.948 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.6 pt -56.04 -28.07 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.251 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.586 HG12 HG21 ' A' ' 151' ' ' THR . 1.3 tt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.1 160.76 51.36 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.053 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.28 14.03 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.504 1.792 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -65.64 -37.4 86.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.651 ' OG1' HD21 ' A' ' 175' ' ' LEU . 0.6 OUTLIER -66.1 -40.83 91.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.953 ' O ' HG23 ' A' ' 156' ' ' VAL . 19.2 mt -58.76 -40.58 84.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.11 -41.86 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.01 79.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 109.337 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 172' ' ' PHE . 40.5 t-105 -62.01 -46.49 88.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 152' ' ' LEU . 40.3 t -45.25 -43.14 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -66.06 -37.84 86.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 155' ' ' TRP . 67.9 t -63.35 -44.53 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.709 HG13 ' HB2' ' A' ' 163' ' ' ALA . 90.1 t -56.32 -46.6 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.86 -24.65 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.246 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.99 -52.8 10.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 1.018 ' O ' HG21 ' A' ' 168' ' ' VAL . 5.5 mttt -173.06 66.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.331 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.709 ' HB2' HG13 ' A' ' 159' ' ' VAL . . . -33.29 -45.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.506 ' CD1' ' CE2' ' A' ' 277' ' ' TYR . 1.3 p90 -117.95 126.41 52.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.491 ' HB2' ' HD2' ' A' ' 166' ' ' PRO . 4.0 p 178.69 170.35 0.51 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.945 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.2 Cg_endo -74.98 -36.11 2.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -88.92 9.28 25.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 1.018 HG21 ' O ' ' A' ' 162' ' ' LYS . 2.2 t -105.78 -34.28 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.642 HD11 ' C ' ' A' ' 270' ' ' LEU . 0.0 OUTLIER -54.95 -45.43 99.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.08 -34.21 3.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -51.05 69.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.557 ' HB2' ' CH2' ' A' ' 155' ' ' TRP . 13.3 t80 -61.55 -44.22 97.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' SER . . . . . 0.626 ' HB3' HD11 ' A' ' 267' ' ' ILE . 11.1 p -58.54 -33.21 69.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.59 92.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.651 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -75.99 -10.17 59.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.933 ' OG ' HD21 ' A' ' 184' ' ' LEU . 3.0 t -106.97 14.26 26.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 176' ' ' SER . 4.3 mt-10 -37.62 109.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.313 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.6 66.85 0.52 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.85 -176.05 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.937 HG21 HD11 ' A' ' 247' ' ' ILE . 1.7 p -108.55 -176.55 0.41 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.4 Cg_endo -74.96 -42.44 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.457 1.767 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -49.55 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.257 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.45 ' OD2' HD12 ' A' ' 147' ' ' ILE . 0.0 OUTLIER -58.5 -49.11 78.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.933 HD21 ' OG ' ' A' ' 176' ' ' SER . 40.3 mt -61.91 -43.2 99.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -57.17 -35.33 69.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.856 HG23 HD11 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -62.43 -44.33 96.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.597 1.186 . . . . 0.0 110.357 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.528 ' O ' HG22 ' A' ' 190' ' ' THR . 0.3 OUTLIER -69.7 -45.5 68.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.426 HD11 HG12 ' A' ' 266' ' ' ILE . 13.5 mt -64.04 -28.91 70.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.02 -39.94 78.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 187' ' ' MET . 5.4 t -84.31 -2.56 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.557 HG11 ' HE3' ' A' ' 198' ' ' MET . 0.7 OUTLIER -52.18 -176.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.709 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -169.89 55.55 0.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.095 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 193' ' ' GLY . . . . . 0.538 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -115.02 32.61 5.71 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.405 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 4.2 t-160 81.35 133.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 0.0 109.572 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.72 -37.96 74.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 110.368 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.48 75.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.08 -49.9 76.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.561 ' HE1' HD23 ' A' ' 201' ' ' LEU . 1.0 OUTLIER -57.93 -33.43 68.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -69.06 -54.46 14.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.3 mtp -59.86 -29.68 68.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.575 HD13 ' HA3' ' A' ' 269' ' ' GLY . 16.2 tp -65.18 -42.6 93.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -63.46 -29.52 70.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 203' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 3.8 tt0 -66.91 -46.45 74.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.203 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.71 -49.04 51.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.349 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.63 HD11 ' HA ' ' A' ' 266' ' ' ILE . 16.2 mt -58.24 -55.48 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.585 1.178 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -57.88 -38.02 75.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 207' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 19.4 mt-10 -66.16 -29.73 70.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 208' ' ' GLU . . . . . 0.538 ' HG2' ' CD1' ' A' ' 265' ' ' TRP . 0.4 OUTLIER -64.53 -44.81 89.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.508 ' HB1' ' HA3' ' A' ' 233' ' ' GLY . . . -61.54 -50.01 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.51 -48.0 75.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.85 -39.01 90.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 212' ' ' TRP . . . . . 0.588 ' CE3' HD11 ' A' ' 215' ' ' LEU . 44.4 t-105 -60.16 -59.63 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 108.017 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -56.17 -33.36 65.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -61.79 -32.67 72.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 215' ' ' LEU . . . . . 0.588 HD11 ' CE3' ' A' ' 212' ' ' TRP . 2.6 pp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 231' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 143.71 29.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -85.92 177.57 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.672 ' HA2' HD12 ' A' ' 236' ' ' ILE . . . -52.77 -38.55 53.79 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 6.5 m -61.41 -40.11 93.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.034 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 235' ' ' ASP . . . . . 0.448 ' O ' ' NE2' ' A' ' 246' ' ' GLN . 1.4 m-20 -65.73 -36.55 83.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.672 HD12 ' HA2' ' A' ' 233' ' ' GLY . 4.0 mt -60.42 -30.01 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.48 -22.98 61.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 90.62 23.49 30.82 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.23 -38.23 15.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 15.4 m -105.83 -0.8 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.432 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 5.8 t -138.8 136.81 36.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.23 172.52 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.365 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.674 HD13 HG12 ' A' ' 247' ' ' ILE . 3.0 tm? -65.64 -59.15 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -49.29 -24.92 2.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 110.35 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.46 -49.4 48.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.067 . . . . 0.0 110.278 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 246' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 235' ' ' ASP . 55.0 mt-30 -69.91 -37.6 76.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.937 HD11 HG21 ' A' ' 180' ' ' THR . 33.3 mm -52.54 -57.3 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 248' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.73 -45.48 96.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 249' ' ' TRP . . . . . 0.45 ' CD1' HD13 ' A' ' 256' ' ' ILE . 0.4 OUTLIER -56.21 -31.47 63.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.98 -41.05 87.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 251' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 251' ' ' THR . 30.3 m -106.91 22.11 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.36 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 255' ' ' PRO . 81.9 t60 -86.28 170.2 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.554 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.456 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 40.3 m-80 -121.22 111.52 33.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.7 Cg_endo -74.94 159.34 98.14 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.032 -0.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.11 121.69 6.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.407 1.74 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 256' ' ' ILE . . . . . 0.45 HD13 ' CD1' ' A' ' 249' ' ' TRP . 4.6 mt -95.71 111.36 55.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 54.66 3.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.604 1.844 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.858 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.3 OUTLIER -58.19 -41.66 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -62.23 -42.71 99.72 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.34 -32.36 73.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.858 HD12 ' HA ' ' A' ' 258' ' ' VAL . 8.2 mt -63.61 -45.72 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 262' ' ' TYR . . . . . 0.629 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 8.5 t80 -71.42 -39.75 70.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.524 ' HE3' HD13 ' A' ' 267' ' ' ILE . 0.0 OUTLIER -58.46 -44.9 89.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -32.07 73.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.562 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 50.8 m0 -61.96 -47.76 83.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 107.962 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.877 HG22 HD11 ' A' ' 270' ' ' LEU . 54.4 mt -57.52 -48.24 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 173' ' ' SER . 0.8 OUTLIER -60.15 -35.48 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 268' ' ' LEU . . . . . 0.465 HD22 ' OE2' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -58.72 -54.26 49.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.575 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.65 -60.51 7.67 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.509 1.131 . . . . 0.0 111.049 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.877 HD11 HG22 ' A' ' 266' ' ' ILE . 11.8 mt -42.04 -31.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -69.25 -47.03 65.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.37 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 269' ' ' GLY . 21.1 mttt -65.02 -36.58 84.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 0.533 HD11 ' HB2' ' A' ' 201' ' ' LEU . 15.4 mt -72.52 -33.35 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 270' ' ' LEU . 19.0 t -68.95 -47.4 75.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 275' ' ' ARG . . . . . 0.446 ' CD ' ' HA ' ' A' ' 272' ' ' LYS . 8.6 ptt85 -73.04 -16.01 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -35.17 16.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 0.515 ' O ' ' CG ' ' A' ' 277' ' ' TYR . 6.4 t80 -94.49 1.87 55.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 3.8 p -81.16 114.28 47.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.958 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.02 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.954 HG11 HG21 ' A' ' 34' ' ' ILE . 3.0 t . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.624 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.8 mt -101.76 150.71 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -86.27 179.68 6.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.7 -57.47 19.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.07 27.86 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.4 ' OE1' HG12 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -59.41 -38.89 81.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 0.726 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.523 ' CD1' HD13 ' A' ' 31' ' ' LEU . 8.7 tp -67.35 -41.61 84.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.82 -31.78 62.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.846 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -77.11 -44.14 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.816 ' CE3' HD12 ' A' ' 85' ' ' LEU . 45.0 t-105 -56.58 -62.41 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -51.77 -30.02 21.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -50.12 75.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.846 HD12 ' O ' ' A' ' 15' ' ' LYS . 2.1 mp -47.7 133.13 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.695 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.519 0.2 . . . . 0.0 110.985 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -143.3 171.93 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.523 HD13 ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -62.51 -27.18 68.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -46.11 90.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -63.02 -35.79 81.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.54 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.954 HG21 HG11 ' A' ' 7' ' ' VAL . 3.7 mt -63.12 -50.07 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.49 -42.27 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -62.32 -40.27 95.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 108.024 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.657 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.69 -52.18 66.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.524 ' HA ' HD12 ' A' ' 41' ' ' LEU . 5.4 p -57.81 -35.15 70.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -60.97 -40.09 92.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 3.3 mm-40 -63.63 -34.44 77.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.761 ' O ' HG12 ' A' ' 46' ' ' VAL . 18.8 mt -70.44 -31.94 69.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -71.34 -42.87 67.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -76.57 -16.73 59.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.224 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -82.41 -6.6 59.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 74.36 34.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.761 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.2 p -124.96 149.78 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -64.74 133.91 95.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -19.04 18.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.03 -13.49 48.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.435 HD12 HG22 ' A' ' 46' ' ' VAL . 20.2 mt -76.16 -23.48 54.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 0.721 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.52 ' CD1' ' CD2' ' A' ' 85' ' ' LEU . 6.9 tp -85.47 -2.27 57.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -90.45 -22.24 21.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -126.0 158.44 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.445 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 p -70.13 -31.43 68.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -63.56 -47.3 82.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -64.44 -40.45 97.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.22 -37.9 89.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -43.25 95.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.67 -34.81 77.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.693 HG12 HD22 ' A' ' 41' ' ' LEU . 1.2 mp -73.27 -74.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.581 ' N ' HG22 ' A' ' 60' ' ' ILE . 11.8 tp -41.69 -37.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.44 -48.73 84.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' ILE . 10.3 mt-30 -96.3 21.95 8.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 0.72 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.543 HD23 ' CD2' ' A' ' 79' ' ' TYR . 16.6 tp -108.9 -26.04 10.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.607 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.6 tm0? -53.56 -45.14 98.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.06 -40.1 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.838 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.8 m -68.67 -12.33 61.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.939 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.8 mt -70.74 -43.68 68.36 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -74.63 -6.92 51.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.464 1.103 . . . . 0.0 110.364 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.838 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.93 -5.05 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.66 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.74 -99.46 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.56 1.163 . . . . 0.0 111.068 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.0 p 168.98 -176.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.994 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -61.24 -41.2 96.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.43 -46.94 58.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.66 HD13 ' CA ' ' A' ' 71' ' ' GLY . 5.1 tt -60.41 -34.11 73.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.545 ' HA ' HD22 ' A' ' 68' ' ' LEU . 2.8 tpt180 -61.76 -42.62 99.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 13.9 t -62.05 -30.96 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -65.3 -47.03 78.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.939 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.0 t80 -59.21 -42.24 90.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.455 ' HB2' ' CG2' ' A' ' 97' ' ' THR . 0.0 OUTLIER -60.13 -29.12 68.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.525 HG21 ' HB2' ' A' ' 37' ' ' ALA . 24.3 m -68.59 -48.0 65.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.142 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.462 HD13 HG21 ' A' ' 60' ' ' ILE . 6.5 mt -68.48 -35.85 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 1.023 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -56.31 -58.87 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.499 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.6 t -58.52 -41.38 81.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.816 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.6 -38.91 72.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.433 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 34.7 t80 -61.96 -42.48 99.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.569 ' HA ' HD13 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -68.18 -39.02 82.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.4 HG12 ' OE1' ' A' ' 12' ' ' GLU . 4.1 t -62.11 -42.75 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.502 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 7.7 m-70 -56.09 -40.04 73.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.496 ' HB2' HD12 ' A' ' 92' ' ' ILE . 2.4 mm-40 -87.16 -19.55 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.1 OUTLIER 79.67 40.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.663 HG22 HG13 ' A' ' 94' ' ' VAL . 1.7 mp -75.96 141.03 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.82 101.35 0.64 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.663 HG13 HG22 ' A' ' 92' ' ' ILE . 27.0 m -135.88 154.8 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.12 23.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 178.78 157.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.499 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.8 m -60.43 -34.87 74.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -31.4 70.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -42.78 96.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -70.24 -39.74 74.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.742 HD12 HD11 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -53.92 -46.79 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -73.9 -41.72 61.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.46 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.54 -63.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.023 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -54.76 -27.67 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.829 HD12 ' OD1' ' A' ' 183' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.49 162.26 45.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -24.43 12.74 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -41.13 93.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.613 HG21 HG12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -72.17 -35.65 69.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.416 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.851 HD11 HG21 ' A' ' 186' ' ' THR . 29.4 mt -66.51 -32.92 74.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.71 -47.53 62.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.52 76.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.658 ' HZ2' HG23 ' A' ' 191' ' ' VAL . 1.8 t90 -61.96 -49.03 77.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 152' ' ' LEU . 3.5 t -45.14 -44.16 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -35.05 76.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.596 1.185 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.635 HG21 ' CE ' ' A' ' 171' ' ' MET . 98.2 t -71.09 -45.7 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.519 HG23 ' NE1' ' A' ' 155' ' ' TRP . 2.6 t -55.12 -33.68 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -78.44 -39.22 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -85.63 12.22 9.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.719 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -154.26 -77.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.87 -48.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 197' ' ' ALA . 4.0 m-85 -165.88 76.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.419 ' O ' HG12 ' A' ' 168' ' ' VAL . 0.7 OUTLIER -127.23 170.61 9.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -19.22 18.28 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.17 -1.57 56.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.583 1.177 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 165' ' ' SER . 0.4 OUTLIER -102.08 -34.21 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.606 HD11 ' C ' ' A' ' 270' ' ' LEU . 3.3 mt -53.55 -47.72 95.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.97 -35.88 2.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.586 1.835 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.635 ' CE ' HG21 ' A' ' 158' ' ' VAL . 0.0 OUTLIER -62.08 -34.35 76.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.969 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.599 ' CD2' ' SD ' ' A' ' 187' ' ' MET . 1.2 t80 -66.81 -43.18 84.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' SER . . . . . 0.573 ' HB3' HD11 ' A' ' 267' ' ' ILE . 9.9 p -58.31 -39.99 80.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.42 93.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -75.83 -10.61 59.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.828 ' OG ' HD21 ' A' ' 184' ' ' LEU . 3.2 t -106.63 14.07 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 178' ' ' GLY . 41.3 tt0 -40.09 105.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.17 67.69 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 179' ' ' ALA . . . . . 0.735 ' HB1' ' OD2' ' A' ' 183' ' ' ASP . . . -103.91 -175.46 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.918 HG21 HD11 ' A' ' 247' ' ' ILE . 1.0 OUTLIER -112.12 -175.23 0.31 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 110.407 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.05 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -34.33 72.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.829 ' OD1' HD12 ' A' ' 147' ' ' ILE . 4.0 t0 -77.63 -49.91 13.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.828 HD21 ' OG ' ' A' ' 176' ' ' SER . 35.7 mt -64.12 -32.44 74.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 185' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 181' ' ' PRO . 4.3 t-20 -65.6 -38.79 90.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.851 HG21 HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -60.55 -42.71 97.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.602 ' O ' ' CZ2' ' A' ' 155' ' ' TRP . 7.2 ttm -67.81 -46.38 72.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.523 HD22 ' CE ' ' A' ' 198' ' ' MET . 9.7 mt -81.69 7.5 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 189' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 5.0 t30 -100.58 -49.5 4.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 191' ' ' VAL . 3.3 t -98.64 10.76 40.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.373 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.794 HG11 ' CE ' ' A' ' 198' ' ' MET . 1.3 p -51.11 -175.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.608 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -162.17 83.78 0.12 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 111.071 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 193' ' ' GLY . . . . . 0.561 ' HA2' ' HB1' ' A' ' 163' ' ' ALA . . . -134.03 -62.13 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 0.1 OUTLIER 169.31 133.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.557 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -57.44 -42.48 82.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.95 -48.99 77.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 197' ' ' ALA . . . . . 0.609 ' HB1' ' CG2' ' A' ' 273' ' ' ILE . . . -59.94 -49.17 78.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.794 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.93 -33.55 68.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -48.97 79.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -41.58 96.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.92 ' HB2' HD11 ' A' ' 273' ' ' ILE . 16.0 tp -57.95 -42.75 85.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 202' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 7.0 tttp -68.07 -29.65 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 203' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 3.8 tt0 -67.27 -45.03 77.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.06 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.5 -49.01 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.973 HD11 ' HA ' ' A' ' 266' ' ' ILE . 16.7 mt -59.45 -55.66 22.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.241 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 206' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 23.3 t-20 -58.64 -34.66 71.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 207' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 3.5 tt0 -65.7 -31.58 72.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.53 -36.94 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.517 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -73.73 -48.62 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.2 -47.67 74.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.31 -33.81 74.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 212' ' ' TRP . . . . . 0.802 ' CZ3' HD11 ' A' ' 215' ' ' LEU . 0.0 OUTLIER -57.3 -64.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.13 -33.07 70.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -58.9 -33.62 70.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.258 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 215' ' ' LEU . . . . . 0.802 HD11 ' CZ3' ' A' ' 212' ' ' TRP . 1.9 pp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 230' ' ' GLU . . . . . 0.406 ' HB3' ' NH1' ' A' ' 232' ' ' ARG . 28.0 mt-10 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 231' ' ' PRO . . . . . 0.474 ' O ' ' CZ ' ' A' ' 232' ' ' ARG . 18.2 Cg_endo -75.01 107.05 2.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.442 1.759 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 232' ' ' ARG . . . . . 0.474 ' CZ ' ' O ' ' A' ' 231' ' ' PRO . 0.0 OUTLIER -117.28 146.37 43.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.517 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -36.97 -38.25 0.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 2.5 p -60.28 -51.77 68.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 109.918 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 235' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 241' ' ' SER . 1.9 t70 -65.6 -37.35 86.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.07 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.722 HD13 HG21 ' A' ' 261' ' ' ILE . 26.2 mt -60.29 -26.62 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -85.73 -15.88 40.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 68.84 32.32 73.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.25 -38.28 13.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 5.0 t -109.54 -2.32 17.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 241' ' ' SER . . . . . 0.472 ' CB ' ' OD1' ' A' ' 235' ' ' ASP . 1.9 t -126.41 145.9 50.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.966 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 242' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 245' ' ' GLU . 0.4 OUTLIER -81.77 160.27 23.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.606 HD13 ' CG1' ' A' ' 247' ' ' ILE . 2.9 tm? -55.88 -61.11 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -44.5 -27.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 245' ' ' GLU . . . . . 0.448 ' H ' HG22 ' A' ' 242' ' ' THR . 0.5 OUTLIER -69.69 -49.66 51.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -67.34 -42.65 83.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.918 HD11 HG21 ' A' ' 180' ' ' THR . 45.0 mm -48.0 -56.86 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 248' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -59.72 -41.18 97.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 249' ' ' TRP . . . . . 0.414 ' CE3' ' HA ' ' A' ' 249' ' ' TRP . 0.1 OUTLIER -58.74 -31.61 68.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.4 tpp -68.14 -39.17 82.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.8 p -108.36 22.4 15.98 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 82.0 t60 -85.27 169.5 13.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.647 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.495 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 9.3 t-20 -120.35 111.41 35.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.98 159.83 97.44 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.011 -0.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.481 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.5 Cg_endo -75.04 119.88 5.83 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.56 114.2 61.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 56.34 4.26 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.477 ' CG2' HG12 ' A' ' 236' ' ' ILE . 0.4 OUTLIER -54.98 -43.66 70.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -60.51 -41.33 98.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.58 -38.85 77.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.722 HG21 HD13 ' A' ' 236' ' ' ILE . 18.8 mt -64.22 -46.09 94.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.162 . . . . 0.0 109.352 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -47.28 73.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.464 ' CE ' ' HB2' ' A' ' 173' ' ' SER . 0.8 OUTLIER -56.7 -45.92 81.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -61.16 -40.0 92.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 261' ' ' ILE . 40.5 m0 -62.14 -47.44 84.57 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.973 ' HA ' HD11 ' A' ' 205' ' ' ILE . 94.3 mt -57.62 -46.67 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.573 HD11 ' HB3' ' A' ' 173' ' ' SER . 0.2 OUTLIER -59.61 -32.57 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -56.53 21.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.71 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -61.98 -56.94 19.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.838 HD11 HG22 ' A' ' 266' ' ' ILE . 12.5 mt -46.33 -33.27 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 0.797 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 271' ' ' ASN . . . . . 0.435 ' HA ' ' CD1' ' A' ' 169' ' ' ILE . 1.3 m-20 -63.74 -45.74 88.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -68.9 -37.46 79.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.229 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 273' ' ' ILE . . . . . 0.92 HD11 ' HB2' ' A' ' 201' ' ' LEU . 47.6 mt -59.72 -46.22 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 270' ' ' LEU . 77.0 t -69.07 -45.99 79.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -58.28 -16.33 13.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 4.5 tpt -95.62 -37.89 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 0.535 ' O ' ' CG ' ' A' ' 277' ' ' TYR . 15.6 t80 -95.44 18.19 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.0 150.19 92.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.07 HG11 HG21 ' A' ' 34' ' ' ILE . 30.3 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.861 HD21 HD12 ' A' ' 85' ' ' LEU . 11.2 mt -102.48 155.46 18.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.04 179.75 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.88 -57.67 18.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.35 -40.55 23.4 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.04 -39.38 81.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.783 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.567 HD11 HD13 ' A' ' 31' ' ' LEU . 5.7 tp -69.77 -36.05 75.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.29 -33.15 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.417 ' O ' HG12 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -76.29 -45.46 32.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.707 ' CZ3' HD22 ' A' ' 85' ' ' LEU . 17.9 t-105 -56.59 -50.65 71.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 107.995 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.01 -21.76 66.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -2.41 28.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.518 ' CD1' HG23 ' A' ' 94' ' ' VAL . 1.6 mm -84.71 145.34 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.699 ' CD2' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.6 0.238 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.71 174.59 10.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.567 HD13 HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.67 -27.84 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -45.59 93.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -63.73 -35.95 82.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.621 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.07 HG21 HG11 ' A' ' 7' ' ' VAL . 4.3 mt -63.27 -50.34 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.429 HG13 ' NH1' ' A' ' 39' ' ' ARG . 2.4 t -51.76 -41.94 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.1 . . . . 0.0 109.27 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -62.17 -42.61 99.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 0.0 108.019 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.08 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.19 -53.13 61.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.561 ' OG ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -59.78 -35.32 74.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.429 ' NH1' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -60.9 -41.19 95.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.49 -35.04 79.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 95.5 mt -67.79 -41.53 83.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.83 -35.41 68.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -75.73 -25.58 56.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.606 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 31.0 t80 -75.95 -6.07 49.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 77.69 30.98 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 1.3 p -123.77 150.3 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -63.72 131.13 94.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -18.79 18.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.45 -10.17 56.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.828 HD12 HD11 ' A' ' 60' ' ' ILE . 23.8 mt -75.52 -26.3 57.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.747 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.562 HD13 HG22 ' A' ' 82' ' ' ILE . 11.8 tp -78.82 -10.14 59.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -83.25 -22.03 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.2 p -125.87 153.55 43.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.52 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -69.99 -29.03 66.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -49.94 67.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.425 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -69.75 -38.61 76.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.576 1.172 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 46.8 t -64.06 -39.69 94.63 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -59.9 -39.58 85.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -62.89 -43.43 98.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.828 HD11 HD12 ' A' ' 50' ' ' LEU . 1.2 mp -68.85 -70.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' N ' HG22 ' A' ' 60' ' ' ILE . 12.8 tp -42.41 -37.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.92 -48.92 83.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.62 1.2 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -93.51 19.08 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 0.808 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.005 HD22 HD11 ' A' ' 82' ' ' ILE . 2.8 tp -108.45 -23.35 11.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.608 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 tm0? -54.6 -44.87 99.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.02 -39.88 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.829 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.5 OUTLIER -67.34 -11.87 58.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.932 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.6 mt -70.66 -45.01 65.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.84 -7.18 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.829 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.2 t -119.49 -6.01 10.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.749 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.34 -98.79 0.39 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 30.9 p 165.49 -176.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -58.57 -41.09 84.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -47.11 55.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.335 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.749 HD13 ' CA ' ' A' ' 71' ' ' GLY . 7.4 tt -58.77 -34.59 71.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.517 ' HA ' HD22 ' A' ' 68' ' ' LEU . 2.2 mmm180 -62.5 -46.08 90.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.0 t -56.22 -34.09 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.519 ' CD1' HD21 ' A' ' 64' ' ' LEU . 1.2 tm? -62.95 -47.37 83.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.932 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.4 t80 -61.81 -33.83 74.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.845 ' OD1' HD13 ' A' ' 101' ' ' LEU . 1.9 t-20 -70.48 -27.6 64.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 1.08 HG21 ' HB2' ' A' ' 37' ' ' ALA . 28.4 m -70.69 -49.3 48.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.005 HD11 HD22 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -69.3 -44.23 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 1.011 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -48.3 -52.19 22.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.686 HG22 ' CB ' ' A' ' 100' ' ' ALA . 6.8 t -58.62 -44.76 90.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.861 HD12 HD21 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -57.09 -34.98 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 19.1 t80 -60.54 -44.71 95.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -67.11 -32.32 73.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 108.322 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.63 -42.9 93.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.52 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 2.0 t-80 -80.26 -18.69 48.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.629 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.609 ' CG ' ' CD1' ' A' ' 92' ' ' ILE . 29.3 tp60 -84.99 -19.81 31.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 88.11 11.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.799 HG22 HG13 ' A' ' 94' ' ' VAL . 0.9 OUTLIER -75.5 141.85 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -99.3 106.06 18.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.799 HG13 HG22 ' A' ' 92' ' ' ILE . 22.5 m -115.25 173.8 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -112.84 -69.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -107.09 171.52 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.799 HG22 ' CG ' ' A' ' 80' ' ' ASN . 99.4 m -59.97 -44.3 94.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.453 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -35.47 72.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.66 -31.73 72.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.849 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -67.5 -40.75 85.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.845 HD13 ' OD1' ' A' ' 80' ' ' ASN . 1.0 OUTLIER -56.47 -46.27 80.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -72.5 -38.77 68.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.707 ' HG2' HG12 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -66.5 -62.76 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.011 HD13 ' HB1' ' A' ' 83' ' ' ALA . 3.2 pt -55.66 -27.73 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 7.2 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.543 HG12 HG21 ' A' ' 151' ' ' THR . 2.2 tt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' SER . . . . . 0.842 ' O ' HG22 ' A' ' 151' ' ' THR . 0.0 OUTLIER -85.65 154.92 59.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.957 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.696 ' HA ' HD12 ' A' ' 152' ' ' LEU . 18.4 Cg_endo -74.95 -16.85 20.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -65.2 -38.72 91.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.996 ' OG1' HD22 ' A' ' 175' ' ' LEU . 3.3 t -73.3 -32.54 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.437 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 156' ' ' VAL . 5.8 mt -71.94 -44.19 64.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -72.35 -38.44 68.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.38 -48.86 73.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 109.219 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' TRP . . . . . 0.675 ' CZ2' HG23 ' A' ' 191' ' ' VAL . 9.8 t90 -62.12 -43.95 97.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 108.039 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 152' ' ' LEU . 7.0 t -44.79 -43.84 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -69.64 -36.42 76.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 155' ' ' TRP . 4.3 t -63.38 -37.48 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.536 HG23 ' CD1' ' A' ' 155' ' ' TRP . 59.0 t -65.88 -32.09 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -19.69 59.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -102.36 -82.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.71 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 2.9 mptt -63.45 -67.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.96 -47.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.703 ' O ' HG22 ' A' ' 274' ' ' VAL . 1.9 p90 -167.79 66.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.78 171.91 4.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -19.18 18.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.71 1.86 49.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.921 HG22 ' CE1' ' A' ' 172' ' ' PHE . 0.4 OUTLIER -102.88 -34.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.612 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 0.5 OUTLIER -55.59 -46.36 99.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.309 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.0 -33.58 4.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.402 ' C ' ' SD ' ' A' ' 171' ' ' MET . 3.1 tmm? -61.51 -44.32 97.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' PHE . . . . . 0.921 ' CE1' HG22 ' A' ' 168' ' ' VAL . 15.8 m-30 -61.93 -44.25 97.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 173' ' ' SER . . . . . 0.896 ' HB3' HD11 ' A' ' 267' ' ' ILE . 11.8 p -71.15 -25.79 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.96 92.62 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.996 HD22 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.25 -31.92 55.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 176' ' ' SER . . . . . 0.717 ' OG ' HD21 ' A' ' 184' ' ' LEU . 2.9 t -84.21 7.21 19.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.953 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -45.15 101.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 63.68 52.63 44.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -94.06 -175.35 3.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.973 HG21 HD11 ' A' ' 247' ' ' ILE . 0.7 OUTLIER -115.9 -171.22 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.425 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 181' ' ' PRO . . . . . 0.615 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.1 Cg_endo -75.02 -38.97 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -68.98 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.436 ' OD1' ' C ' ' A' ' 183' ' ' ASP . 0.0 OUTLIER -44.89 -40.66 6.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.717 HD21 ' OG ' ' A' ' 176' ' ' SER . 47.0 mt -70.45 -41.95 72.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -55.28 -42.84 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.616 ' CG2' HD21 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -66.45 -42.01 88.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 110.384 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 187' ' ' MET . . . . . 0.54 ' SD ' ' CZ3' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -61.38 -45.42 94.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.567 HD12 ' HH2' ' A' ' 155' ' ' TRP . 1.3 mp -79.61 -4.39 51.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -94.6 -18.51 21.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.527 ' HB ' HD22 ' A' ' 152' ' ' LEU . 1.5 t -97.18 -22.05 16.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.825 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -50.03 179.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 192' ' ' GLY . . . . . 0.438 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -172.59 52.93 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 193' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -99.03 23.11 37.76 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 1.7 t-80 90.02 131.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -57.83 -37.36 73.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.32 -49.37 74.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.17 75.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 198' ' ' MET . . . . . 0.825 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.1 -33.22 68.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -65.03 -47.88 75.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.182 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 28.2 mtm -58.86 -46.34 88.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 201' ' ' LEU . . . . . 0.702 HD13 ' HA3' ' A' ' 269' ' ' GLY . 2.3 tp -67.2 -38.68 85.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -55.98 -39.52 71.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 203' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 1.2 tt0 -66.82 -37.02 83.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.262 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -36.53 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.48 HD11 HD11 ' A' ' 201' ' ' LEU . 7.7 mt -70.02 -56.36 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.16 -42.88 86.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 207' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 31.5 tt0 -65.87 -29.66 70.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.44 -38.97 91.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.447 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -68.67 -49.09 61.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.25 -48.07 74.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.092 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.93 -36.58 82.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 212' ' ' TRP . . . . . 0.629 ' CE3' HD21 ' A' ' 215' ' ' LEU . 58.2 t-105 -58.72 -50.02 75.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.59 -33.24 66.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -59.48 -41.99 91.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 215' ' ' LEU . . . . . 0.629 HD21 ' CE3' ' A' ' 212' ' ' TRP . 2.7 pp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 230' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 231' ' ' PRO . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 231' ' ' PRO . . . . . 0.902 ' CG ' HG21 ' A' ' 256' ' ' ILE . 18.0 Cg_endo -75.11 88.17 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.759 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 232' ' ' ARG . . . . . 0.544 ' NH2' HG21 ' A' ' 240' ' ' THR . 1.3 ptt180 -86.13 -175.55 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 233' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -72.07 -39.02 59.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 234' ' ' SER . . . . . 0.83 ' O ' HG22 ' A' ' 239' ' ' THR . 0.9 OUTLIER -65.46 -52.45 52.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 110.01 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -59.77 -44.44 93.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 236' ' ' ILE . . . . . 0.691 HG12 HG22 ' A' ' 258' ' ' VAL . 52.1 mt -60.32 -21.01 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 237' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -79.41 -22.09 44.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 93.14 21.72 29.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 239' ' ' THR . . . . . 0.83 HG22 ' O ' ' A' ' 234' ' ' SER . 4.5 t -75.68 -37.03 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 240' ' ' THR . . . . . 0.819 HG23 HG23 ' A' ' 239' ' ' THR . 72.0 p -123.36 -1.99 8.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.35 140.4 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 242' ' ' THR . . . . . 0.588 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.4 OUTLIER -89.82 176.69 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 243' ' ' LEU . . . . . 0.643 HD22 HD12 ' A' ' 247' ' ' ILE . 3.2 tm? -69.67 -53.1 20.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -53.88 -56.39 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.4 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 245' ' ' GLU . . . . . 0.55 ' H ' HG22 ' A' ' 242' ' ' THR . 5.7 mt-10 -60.32 -33.21 72.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.247 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 246' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 242' ' ' THR . 8.5 mm-40 -64.0 -65.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 247' ' ' ILE . . . . . 0.973 HD11 HG21 ' A' ' 180' ' ' THR . 0.7 OUTLIER -45.0 -37.03 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -65.64 -36.03 91.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 249' ' ' TRP . . . . . 0.468 ' N ' ' O ' ' A' ' 246' ' ' GLN . 0.3 OUTLIER -73.28 -47.77 40.21 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.9 ptp -68.74 -13.52 62.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 251' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 251' ' ' THR . 98.6 m -118.29 21.9 12.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 252' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 255' ' ' PRO . 1.2 t-80 -89.41 176.53 6.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.531 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 253' ' ' ASN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 4.8 t30 -125.39 111.43 26.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 254' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -74.95 155.0 99.99 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.967 -0.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 255' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.08 120.05 5.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 256' ' ' ILE . . . . . 0.902 HG21 ' CG ' ' A' ' 231' ' ' PRO . 11.2 mt -81.32 136.18 49.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 257' ' ' PRO . . . . . 0.692 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.1 Cg_endo -75.06 53.45 3.37 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 258' ' ' VAL . . . . . 0.691 HG22 HG12 ' A' ' 236' ' ' ILE . 2.2 t -65.39 -63.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 259' ' ' GLY . . . . . 0.406 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.13 -39.69 97.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -65.02 -35.42 81.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 110.362 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 261' ' ' ILE . . . . . 0.692 HD12 ' O ' ' A' ' 257' ' ' PRO . 6.8 mt -64.73 -43.39 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 262' ' ' TYR . . . . . 0.582 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.4 t80 -64.45 -47.35 79.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 263' ' ' LYS . . . . . 0.76 ' HE3' HD13 ' A' ' 267' ' ' ILE . 0.0 OUTLIER -56.86 -43.88 81.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.372 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -56.72 -34.09 67.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 265' ' ' TRP . . . . . 0.662 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 46.7 m0 -62.5 -47.83 82.22 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 266' ' ' ILE . . . . . 0.878 HG22 HD11 ' A' ' 270' ' ' LEU . 72.1 mt -57.53 -46.97 86.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.896 HD11 ' HB3' ' A' ' 173' ' ' SER . 0.6 OUTLIER -60.01 -31.16 47.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -57.43 12.84 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.397 1.06 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 269' ' ' GLY . . . . . 0.702 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -61.96 -59.0 10.31 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 0.0 111.061 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 270' ' ' LEU . . . . . 0.878 HD11 HG22 ' A' ' 266' ' ' ILE . 11.0 mt -42.6 -28.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 271' ' ' ASN . . . . . 0.416 ' N ' HD11 ' A' ' 169' ' ' ILE . 0.9 OUTLIER -70.47 -47.59 59.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 269' ' ' GLY . 11.1 tttt -67.7 -43.55 79.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 52.1 mt -60.57 -46.18 95.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 274' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 164' ' ' PHE . 38.4 t -62.96 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -67.06 -16.37 64.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -37.88 57.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.83 18.1 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 87.9 p -71.96 113.7 22.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.048 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.74 176.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.79 121.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -172.92 176.03 3.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 7' ' ' VAL . 77.5 p -179.03 94.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.093 HG11 HG21 ' A' ' 34' ' ' ILE . 39.5 t -152.81 -66.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.801 HD21 HD11 ' A' ' 85' ' ' LEU . 11.6 mt -103.59 155.42 18.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.15 179.71 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.38 -58.01 16.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.08 -40.83 23.82 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.61 ' OE2' HG12 ' A' ' 88' ' ' VAL . 1.2 mt-10 -58.89 -40.63 84.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.576 HD11 HD13 ' A' ' 31' ' ' LEU . 6.4 tp -66.62 -43.18 85.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 3.1 t70 -56.57 -31.83 64.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -45.31 35.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.833 ' CE3' HD22 ' A' ' 85' ' ' LEU . 27.9 t-105 -56.65 -59.02 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -22.02 58.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 1.1 mmpt? -86.6 46.75 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.466 HD13 HG13 ' A' ' 84' ' ' VAL . 75.8 mt -149.15 119.21 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' CG ' ' HB3' ' A' ' 96' ' ' ASP . 4.4 ptm85 -72.26 138.9 47.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.244 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.796 HD23 ' N ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -65.46 -133.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.73 156.01 92.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.02 11.14 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.543 1.812 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.0 -1.03 60.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.153 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.01 -38.71 5.37 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 62.13 46.55 6.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.76 143.01 51.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -105.52 142.95 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.675 ' N ' HD21 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -60.2 149.48 32.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -142.53 168.46 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.576 HD13 HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.06 -28.03 68.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -44.88 95.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -62.95 -36.07 82.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.093 HG21 HG11 ' A' ' 7' ' ' VAL . 5.7 mt -63.54 -50.26 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -57.04 -45.12 83.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -62.44 -39.64 94.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.15 -52.75 64.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.665 ' CB ' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -62.79 -34.86 78.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.72 -41.24 94.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -65.1 -34.91 79.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.889 ' O ' HG12 ' A' ' 46' ' ' VAL . 95.8 mt -61.72 -48.7 79.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -56.92 -32.74 66.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -71.6 -30.24 65.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 53.3 t80 -78.29 2.98 16.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 74.37 34.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.889 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.7 p -124.92 150.24 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -63.85 125.17 87.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.95 18.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.65 -8.1 62.67 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.753 HD12 HD11 ' A' ' 60' ' ' ILE . 22.2 mt -74.25 -24.62 59.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.665 HD23 ' CB ' ' A' ' 38' ' ' SER . 10.5 tp -78.75 -20.71 49.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.79 -22.04 63.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.91 153.99 43.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.504 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 8.0 t -69.87 -29.17 66.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.47 -49.91 65.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -65.71 -35.35 90.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.719 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -64.17 -39.62 94.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -46.05 90.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -59.19 -38.9 80.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.753 HD11 HD12 ' A' ' 50' ' ' LEU . 1.2 mp -67.54 -69.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.525 ' N ' HG22 ' A' ' 60' ' ' ILE . 14.0 tp -43.9 -32.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.79 -48.91 58.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -92.77 20.99 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.275 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.535 HD23 ' CD2' ' A' ' 79' ' ' TYR . 11.9 tp -111.69 -28.45 8.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.602 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -52.75 -45.23 96.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.94 -40.37 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.825 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.2 OUTLIER -68.46 -12.11 60.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.967 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.5 mt -71.12 -43.95 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.16 -7.01 51.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.825 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.15 -5.45 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.618 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.74 -99.38 0.42 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.458 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 26.8 p 167.54 -177.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.09 -41.02 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -71.32 -46.25 61.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.618 HD13 ' CA ' ' A' ' 71' ' ' GLY . 7.1 tt -59.84 -34.26 72.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.512 ' HA ' HD22 ' A' ' 68' ' ' LEU . 2.9 ttm-85 -61.18 -48.93 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.2 -35.2 64.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.713 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -62.32 -47.11 85.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.967 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.5 t80 -62.77 -40.67 98.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.657 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.5 t-20 -62.82 -29.88 71.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.575 HG23 ' HH2' ' A' ' 16' ' ' TRP . 53.5 m -70.01 -46.48 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.719 HG23 ' SG ' ' A' ' 57' ' ' CYS . 7.5 mt -66.18 -43.99 91.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.971 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -49.95 -51.57 40.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.571 HG22 ' HB2' ' A' ' 100' ' ' ALA . 4.2 t -58.62 -43.26 87.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.833 HD22 ' CE3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -56.75 -42.94 80.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -60.81 -32.7 72.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.52 ' HA ' HD12 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -69.87 -39.88 76.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.331 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.61 HG12 ' OE2' ' A' ' 12' ' ' GLU . 43.1 t -64.79 -32.85 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.504 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 23.7 m80 -67.88 -40.22 83.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.618 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.701 ' CB ' HD11 ' A' ' 92' ' ' ILE . 1.7 mm-40 -85.4 -20.13 30.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 87' ' ' CYS . 1.2 ttt180 71.52 48.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.701 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.4 mp -90.29 141.33 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -62.63 106.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 9.1 m -130.62 171.94 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -144.07 -46.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.409 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -122.48 170.87 9.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.657 HG22 ' CG ' ' A' ' 80' ' ' ASN . 85.2 m -59.91 -45.48 92.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -60.41 -31.73 70.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -33.52 76.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.836 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.17 -38.77 78.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.597 HD13 ' OD1' ' A' ' 80' ' ' ASN . 1.1 mp -56.55 -46.65 80.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -72.69 -42.26 64.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.459 ' CG ' HG22 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.58 -62.19 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.971 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.7 pt -55.83 -30.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 3.5 mt-10 -56.98 -53.94 52.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.41 -50.3 73.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -52.05 -51.11 59.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.04 -54.94 36.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -53.08 -28.14 23.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -54.12 8.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -60.32 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.91 -37.77 4.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 -57.11 12.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -49.41 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.7 23.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -49.71 51.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.657 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 1.6 tt0 -51.97 -52.18 52.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 119' ' ' ALA . . . -56.98 -60.16 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' ALA . . . -40.06 -35.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -63.28 -61.17 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' THR . 27.7 t70 -92.36 35.92 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' ASP . 1.2 m -38.29 152.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -144.05 -62.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.47 96.35 7.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -178.55 167.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 64.3 p -75.16 120.56 20.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.96 165.51 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.7 p -131.52 153.41 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.1 p -75.44 167.87 21.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -141.29 158.79 43.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -103.92 165.49 11.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.534 ' O ' ' CG ' ' A' ' 132' ' ' TYR . 11.4 p90 -133.95 93.59 20.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.27 25.21 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 5.9 tt -151.95 149.23 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -144.14 150.41 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -56.29 137.84 51.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.345 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -78.58 138.92 38.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 139' ' ' GLN . 1.2 pp -113.37 164.55 13.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.509 ' N ' HD12 ' A' ' 138' ' ' LEU . 34.4 mt-30 -108.45 123.0 48.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.269 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -68.86 -141.17 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -144.37 150.35 37.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.78 150.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.529 ' O ' HG23 ' A' ' 143' ' ' VAL . 35.4 m -136.19 103.43 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -82.92 142.59 31.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.89 147.92 29.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.79 -176.53 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 1.044 HD12 ' OD1' ' A' ' 183' ' ' ASP . 1.2 tt -85.39 143.45 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.91 159.86 53.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.71 14.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.454 1.765 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -65.28 -38.08 89.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.552 HG21 HG12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -73.33 -40.42 64.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.897 ' O ' HG23 ' A' ' 156' ' ' VAL . 17.4 mt -55.1 -43.53 74.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -64.81 -41.41 95.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -57.53 -49.08 77.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.575 ' CZ2' HG22 ' A' ' 159' ' ' VAL . 27.3 t-105 -62.1 -47.28 85.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 152' ' ' LEU . 53.1 t -45.42 -43.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -36.69 83.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 154' ' ' ALA . 90.0 t -63.39 -44.95 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.575 HG22 ' CZ2' ' A' ' 155' ' ' TRP . 94.6 t -61.27 -46.73 96.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.56 -16.51 64.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.364 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.45 -52.66 7.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.649 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -165.09 58.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.733 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -39.02 -47.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -109.68 105.59 14.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.666 ' O ' HG12 ' A' ' 168' ' ' VAL . 44.3 p 179.84 163.52 0.84 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.3 Cg_endo -74.98 -17.54 19.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.74 5.18 52.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.733 HG11 ' O ' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -110.52 -32.93 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.5 mm -56.53 -44.34 99.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.95 -37.45 2.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.469 ' SD ' HG13 ' A' ' 158' ' ' VAL . 0.0 OUTLIER -62.34 -38.02 87.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.547 ' HB2' ' CH2' ' A' ' 155' ' ' TRP . 17.7 t80 -71.26 -44.43 65.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' SER . . . . . 0.452 ' HB3' HD11 ' A' ' 267' ' ' ILE . 20.5 p -61.8 -27.5 68.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.57 -45.86 61.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.522 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.12 -10.94 59.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.449 ' HB2' HD23 ' A' ' 184' ' ' LEU . 0.3 OUTLIER -119.6 13.99 12.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 173' ' ' SER . 10.8 pt-20 -42.6 116.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.71 65.28 0.67 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.749 ' HB1' ' OD2' ' A' ' 183' ' ' ASP . . . -103.7 170.65 7.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.725 HG21 HD11 ' A' ' 247' ' ' ILE . 0.8 OUTLIER -94.66 -175.77 0.5 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.38 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.2 Cg_endo -75.01 -37.25 2.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -69.59 -30.52 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 1.044 ' OD1' HD12 ' A' ' 147' ' ' ILE . 3.5 t0 -82.85 -49.31 9.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 180' ' ' THR . 13.1 mt -61.86 -38.22 87.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 181' ' ' PRO . 77.6 m-20 -64.7 -42.37 95.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.891 HG22 HD21 ' A' ' 152' ' ' LEU . 0.7 OUTLIER -61.28 -47.64 85.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.414 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.571 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -63.06 -44.93 94.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 201' ' ' LEU . 0.9 OUTLIER -66.74 -20.46 65.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.79 -48.95 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 187' ' ' MET . 9.2 t -66.74 -18.62 65.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.667 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -51.07 -179.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.459 ' H ' HG22 ' A' ' 191' ' ' VAL . . . 170.44 96.57 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -143.66 -51.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -171.64 118.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.566 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.55 -37.99 74.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.53 -49.39 76.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.646 ' HB1' ' CG2' ' A' ' 273' ' ' ILE . . . -59.32 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.667 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.5 OUTLIER -58.05 -33.35 68.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 111.01 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -62.31 -54.54 39.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.38 -39.52 83.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.869 ' HB2' HD11 ' A' ' 273' ' ' ILE . 1.6 tp -57.64 -42.7 83.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -62.15 -34.44 76.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -66.93 -46.35 75.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -41.35 88.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.767 HD11 ' HA ' ' A' ' 266' ' ' ILE . 15.3 mt -63.56 -55.04 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -58.47 -40.96 84.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.11 -29.72 70.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 265' ' ' TRP . 0.6 OUTLIER -63.07 -40.92 99.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.76 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -66.15 -50.21 64.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.02 75.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.61 -39.82 95.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 212' ' ' TRP . . . . . 0.759 ' CE3' HD11 ' A' ' 215' ' ' LEU . 38.6 t-105 -57.69 -59.43 5.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 108.003 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -56.37 -33.68 65.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.12 -41.91 93.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.253 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.759 HD11 ' CE3' ' A' ' 212' ' ' TRP . 2.9 pp -94.18 0.43 55.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -111.42 97.5 36.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.596 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 108.69 2.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 75.5 t -86.09 97.88 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -126.3 67.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.587 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -107.44 116.56 32.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -67.2 -141.29 0.06 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 78.67 2.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.81 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 229' ' ' ARG . 20.4 tt -52.44 162.21 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.769 ' HB3' ' CG ' ' A' ' 227' ' ' GLN . . . -62.11 160.94 26.9 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 225' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 224' ' ' ALA . 18.3 Cg_endo -74.98 102.86 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 102.29 -17.2 54.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.769 ' CG ' ' HB3' ' A' ' 224' ' ' ALA . 0.5 OUTLIER -44.26 160.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.271 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.616 ' HG3' ' CE1' ' A' ' 252' ' ' HIS . 0.4 OUTLIER -89.29 91.14 8.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 0.416 ' HA ' ' CD1' ' A' ' 223' ' ' ILE . 0.0 OUTLIER -49.95 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.43 109.56 53.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.505 ' HG3' ' CD2' ' A' ' 249' ' ' TRP . 18.3 Cg_endo -74.96 141.95 27.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.54 1.81 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.69 175.86 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.76 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -45.79 -38.27 7.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 234' ' ' SER . . . . . 0.561 ' O ' ' HB3' ' A' ' 237' ' ' ALA . 7.0 m -66.65 -43.19 85.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.6 -47.37 85.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.496 HG12 HG22 ' A' ' 258' ' ' VAL . 32.7 mt -60.65 -23.61 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 237' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -73.61 -22.77 59.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 99.16 17.66 26.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.24 -38.31 15.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 0.788 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 240' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 240' ' ' THR . 43.9 m -111.52 6.36 20.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 18.3 t -146.41 143.18 28.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.552 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -91.06 174.12 7.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.563 HD22 HD12 ' A' ' 247' ' ' ILE . 3.0 tm? -57.48 -53.31 59.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -52.39 44.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.54 71.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 246' ' ' GLN . . . . . 0.461 ' HG3' ' CG1' ' A' ' 258' ' ' VAL . 1.8 tp60 -65.17 -66.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.725 HD11 HG21 ' A' ' 180' ' ' THR . 1.0 OUTLIER -48.25 -42.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.69 -51.43 58.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.547 ' CE2' ' SD ' ' A' ' 228' ' ' MET . 0.0 OUTLIER -58.7 -32.84 69.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 21.0 mtm -69.89 -41.34 74.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 13.8 t -100.75 22.43 12.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.616 ' CE1' ' HG3' ' A' ' 228' ' ' MET . 0.2 OUTLIER -80.79 169.8 17.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 21.6 m-80 -121.62 111.43 33.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.97 159.3 98.2 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.996 -0.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -75.03 129.27 12.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 256' ' ' ILE . . . . . 0.551 HG23 ' HD2' ' A' ' 257' ' ' PRO . 4.2 mt -103.5 137.99 19.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 256' ' ' ILE . 18.1 Cg_endo -75.07 55.4 3.97 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.496 HG22 HG12 ' A' ' 236' ' ' ILE . 2.3 t -61.68 -64.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.65 97.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.8 -38.35 85.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.696 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 11.4 mt -64.46 -45.64 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 262' ' ' TYR . . . . . 0.519 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.2 t80 -65.15 -39.85 93.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.05 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.416 ' HE2' ' N ' ' A' ' 264' ' ' ARG . 1.1 ttpt -61.82 -44.55 96.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.416 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -62.96 -31.65 72.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.696 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 53.7 m0 -61.81 -48.14 81.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 108.027 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.8 HG22 ' CD1' ' A' ' 270' ' ' LEU . 69.0 mt -57.52 -46.05 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 173' ' ' SER . 0.5 OUTLIER -59.72 -36.27 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -53.53 57.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.774 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.55 -60.38 7.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.8 ' CD1' HG22 ' A' ' 266' ' ' ILE . 13.3 mt -45.95 -31.88 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -46.96 84.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.2 OUTLIER -69.2 -37.52 78.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 0.869 HD11 ' HB2' ' A' ' 201' ' ' LEU . 52.0 mt -60.93 -45.67 97.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.626 HG22 ' N ' ' A' ' 165' ' ' SER . 40.3 t -69.11 -45.55 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -16.39 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 2.8 mtt -93.79 -37.86 11.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.72 18.55 14.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.0 150.18 92.52 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 104.94 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 8.0 m 38.82 78.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 93.6 p -73.97 162.04 29.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 16.0 tt -103.67 162.39 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -87.0 158.66 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -171.66 154.08 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.561 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -172.6 141.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.604 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -169.65 122.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.596 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -150.37 170.49 18.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.599 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.74 95.21 5.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -178.5 138.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 109.269 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.76 -58.31 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 110.313 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.7 -82.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.528 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -176.24 55.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.068 HG11 HG21 ' A' ' 34' ' ' ILE . 19.3 t -154.94 -65.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.593 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 10.3 mt -104.11 151.14 23.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.83 179.57 7.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.401 1.063 . . . . 0.0 109.983 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.69 -57.63 18.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.054 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -41.15 27.13 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.23 -39.33 82.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.71 HD21 HD21 ' A' ' 31' ' ' LEU . 8.4 tp -67.5 -40.5 85.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 23.3 t0 -55.88 -32.04 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -45.14 34.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.792 ' CE3' HD12 ' A' ' 85' ' ' LEU . 56.4 t-105 -56.38 -61.15 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 107.995 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -21.14 57.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 12.8 tttt -91.05 39.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.837 HD13 HG13 ' A' ' 84' ' ' VAL . 56.4 mt -141.59 136.8 31.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.418 1.074 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.56 146.35 26.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -71.32 -137.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -59.51 159.71 16.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 124.82 8.88 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.3 -0.88 62.1 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.76 -30.83 10.85 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER 54.66 23.49 4.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -95.46 152.29 18.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.708 ' C ' HD21 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -109.8 148.02 32.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.722 ' N ' HD21 ' A' ' 21' ' ' LEU . 1.2 m-85 -72.94 151.78 41.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -141.01 167.24 22.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.71 HD21 HD21 ' A' ' 13' ' ' LEU . 2.6 mm? -61.66 -28.03 69.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -44.74 95.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -62.8 -37.13 85.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.561 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.068 HG21 HG11 ' A' ' 7' ' ' VAL . 5.1 mt -62.17 -49.71 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.41 -43.5 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -62.64 -40.59 97.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.504 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.16 -52.76 64.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -34.82 76.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.053 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 -60.67 -41.11 94.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.82 -34.82 79.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.958 ' O ' HG12 ' A' ' 46' ' ' VAL . 42.5 mt -58.58 -49.92 75.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -57.01 -39.43 74.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -35.78 78.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.216 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.549 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 17.4 t80 -76.01 -1.23 24.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 74.49 40.55 0.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.958 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.8 p -125.06 150.11 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.02 129.0 93.68 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.79 18.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.35 -8.98 60.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -72.33 -39.89 67.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.527 0.781 . . . . 0.0 109.25 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.636 HD11 HD22 ' A' ' 85' ' ' LEU . 8.8 tp -66.94 -10.71 51.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.19 -21.89 36.25 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.8 154.35 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.432 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.54 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 96.2 p -70.01 -29.2 66.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.1 -50.08 65.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.535 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -69.99 -37.38 73.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.421 1.076 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.822 ' SG ' HG23 ' A' ' 82' ' ' ILE . 4.6 t -64.07 -39.13 93.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -60.03 -46.04 90.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.98 -28.67 69.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.647 HG22 ' N ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -71.17 -71.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.647 ' N ' HG22 ' A' ' 60' ' ' ILE . 13.9 tp -46.43 -31.07 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.18 -49.08 42.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.25 18.6 5.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.514 HD23 ' CD2' ' A' ' 79' ' ' TYR . 14.6 tp -112.12 -26.97 8.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.6 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 5.3 tm0? -52.86 -45.15 97.61 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.274 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -74.97 -40.36 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.815 ' HA ' HG22 ' A' ' 70' ' ' THR . 70.5 m -68.31 -11.95 60.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.051 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.963 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.5 mt -71.14 -43.99 66.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.67 -7.48 52.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.815 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.2 t -120.31 -5.5 9.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.405 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.599 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.1 -98.46 0.38 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.497 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 32.8 p 166.4 -177.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.946 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -59.22 -41.01 87.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.21 -46.58 60.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.599 HD13 ' CA ' ' A' ' 71' ' ' GLY . 7.2 tt -59.91 -34.31 73.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.522 ' HA ' HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -60.98 -49.51 77.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -35.23 64.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.661 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -62.08 -47.16 85.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.963 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -62.65 -42.48 99.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.656 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.5 t-20 -60.36 -31.79 70.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.717 HG23 ' HH2' ' A' ' 16' ' ' TRP . 23.6 m -69.17 -45.08 70.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.394 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.822 HG23 ' SG ' ' A' ' 57' ' ' CYS . 23.3 mt -67.54 -38.58 80.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.979 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -52.17 -55.35 21.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.837 HG13 HD13 ' A' ' 19' ' ' ILE . 2.6 t -58.71 -41.11 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.792 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -57.35 -37.89 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.495 ' O ' ' CD2' ' A' ' 89' ' ' HIS . 37.8 t80 -59.83 -54.96 40.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -58.5 -36.01 73.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -63.65 -40.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 0.0 OUTLIER -55.97 -40.2 72.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.522 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.518 ' HG2' ' CE1' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -86.8 -17.19 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 81.24 40.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.25 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.834 HG22 HG13 ' A' ' 94' ' ' VAL . 1.3 mp -75.91 141.23 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -69.95 101.51 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.834 HG13 HG22 ' A' ' 92' ' ' ILE . 16.8 m -140.81 153.64 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -147.58 19.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.517 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 15.8 t70 -164.41 149.2 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.656 HG22 ' CG ' ' A' ' 80' ' ' ASN . 7.9 m -60.75 -35.12 75.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.517 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 11.5 tttt -69.56 -34.07 73.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -42.49 98.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -68.98 -38.99 79.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.534 HD13 ' OD1' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -56.72 -45.63 81.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.82 -41.87 64.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -62.45 1.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.979 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pt -56.09 -28.04 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 5.8 mt-10 -57.17 -53.98 51.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -48.46 81.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -51.98 -51.01 60.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -55.37 -52.98 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -52.96 -43.83 66.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.358 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -55.36 36.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.34 -50.66 50.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.972 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -52.21 -54.21 33.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -51.26 -53.49 34.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -49.75 -51.0 42.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.413 1.071 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.55 -55.17 27.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.51 -48.85 47.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -54.26 40.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.24 -55.61 23.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.34 -48.56 2.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.52 -56.67 12.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.34 -58.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.8 p -63.28 -51.84 64.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -70.79 89.66 0.38 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -159.63 116.29 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -133.67 167.86 19.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 71.5 m 62.99 136.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.948 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -172.74 139.4 0.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 128' ' ' VAL . 35.3 m -136.34 115.14 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.7 p -92.9 153.8 18.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.049 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -110.19 154.11 23.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -62.48 163.84 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.556 ' CD2' ' HD2' ' A' ' 133' ' ' PRO . 0.2 OUTLIER -146.6 155.81 48.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.556 ' HD2' ' CD2' ' A' ' 132' ' ' TYR . 18.3 Cg_endo -75.01 157.67 42.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 0.0 111.016 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.46 142.86 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.4 m -93.98 156.96 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.15 171.49 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.256 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -174.05 161.68 3.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 139' ' ' GLN . 2.6 tt -119.49 168.17 11.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.63 ' N ' HD23 ' A' ' 138' ' ' LEU . 0.8 OUTLIER 67.71 164.97 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.334 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -105.93 -140.97 10.26 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.55 91.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 16.1 ptm -128.75 175.53 8.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 143' ' ' VAL . 34.9 m -123.88 89.52 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.632 ' HB3' HG21 ' A' ' 247' ' ' ILE . 0.1 OUTLIER -77.66 142.8 38.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.596 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -81.91 148.03 28.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.71 176.27 7.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.562 ' CG2' HG21 ' A' ' 186' ' ' THR . 1.6 tt -78.66 143.95 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.3 160.93 53.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.967 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -23.49 13.83 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -37.12 85.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.554 HG21 HG12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -75.5 -32.7 60.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.431 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.878 ' O ' HG23 ' A' ' 156' ' ' VAL . 26.6 mt -64.95 -43.18 93.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.82 -43.77 78.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.18 -49.19 76.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.591 ' CE2' HG23 ' A' ' 159' ' ' VAL . 19.3 t-105 -62.14 -48.77 78.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 152' ' ' LEU . 39.7 t -47.46 -43.55 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.69 -33.41 72.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.552 HG11 ' HG2' ' A' ' 171' ' ' MET . 84.7 t -75.04 -37.87 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.678 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 6.4 t -63.41 -42.29 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.62 -35.68 52.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.389 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.55 -27.8 66.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.717 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -129.47 -76.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.221 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.52 -47.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 277' ' ' TYR . 32.2 p90 -150.77 112.58 4.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.578 1.174 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.615 ' N ' HG22 ' A' ' 274' ' ' VAL . 41.7 p -179.55 161.74 0.93 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.3 Cg_endo -74.94 -18.07 19.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.585 1.834 . . . . 0.0 111.052 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.6 2.34 56.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.248 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -108.31 -33.67 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.3 mm -51.57 -45.53 90.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.12 -34.71 3.52 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.439 1.758 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.552 ' HG2' HG11 ' A' ' 158' ' ' VAL . 9.8 tpt -61.97 -37.59 85.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.857 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 64.9 t80 -62.47 -44.37 96.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 20.8 t -62.86 -30.24 71.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.71 89.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -76.87 -10.08 59.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.472 ' CB ' HD21 ' A' ' 184' ' ' LEU . 3.8 t -108.39 14.1 25.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -43.25 111.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 40.07 64.18 1.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.7 -175.6 2.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 0.789 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.908 HG21 HD11 ' A' ' 247' ' ' ILE . 0.2 OUTLIER -115.35 -174.12 0.27 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.627 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.5 Cg_endo -74.93 -40.99 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 185' ' ' ASN . 3.4 tt0 -69.25 -64.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.88 -42.66 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 180' ' ' THR . 55.6 mt -70.25 -39.22 75.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 185' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 182' ' ' GLN . 1.1 t30 -55.16 -41.1 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.798 ' CG2' HD21 ' A' ' 152' ' ' LEU . 0.4 OUTLIER -65.41 -43.7 89.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.477 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.556 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.6 OUTLIER -61.6 -45.49 93.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.461 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 1.0 OUTLIER -67.04 -17.73 65.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -79.82 -48.87 12.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.405 ' CG2' HD22 ' A' ' 152' ' ' LEU . 8.3 t -71.24 -8.42 53.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.398 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.646 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.5 OUTLIER -52.3 -176.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.509 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -165.69 56.49 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 193' ' ' GLY . . . . . 0.7 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -114.24 31.67 6.34 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 76.58 134.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 0.729 . . . . 0.0 109.615 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -60.36 -38.1 82.78 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.32 77.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.2 -48.82 80.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.646 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.1 OUTLIER -57.88 -38.42 75.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 0.0 110.976 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -60.37 -54.52 44.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 33.4 ttp -58.82 -29.12 66.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 1.034 HD13 HD11 ' A' ' 273' ' ' ILE . 0.9 OUTLIER -65.54 -36.88 85.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.213 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 202' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 2.1 ttpt -68.73 -29.8 68.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 203' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 0.1 OUTLIER -67.27 -46.9 72.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -48.93 34.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.868 HD11 ' HA ' ' A' ' 266' ' ' ILE . 23.5 mt -59.03 -55.83 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.369 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 55.3 t30 -58.47 -38.81 78.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 2.7 tm-20 -65.62 -29.36 69.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 208' ' ' GLU . . . . . 0.635 ' OE1' HD22 ' A' ' 268' ' ' LEU . 1.0 OUTLIER -65.42 -38.59 90.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.242 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.743 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -71.72 -49.91 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.5 -48.08 75.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 211' ' ' GLU . . . . . 0.442 ' O ' HD12 ' A' ' 215' ' ' LEU . 6.8 tt0 -67.69 -36.91 81.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 212' ' ' TRP . . . . . 0.458 ' CZ2' ' ND1' ' A' ' 216' ' ' HIS . 31.1 t-105 -57.73 -61.68 2.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 107.971 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -56.44 -33.32 65.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -59.2 -35.54 73.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.563 1.164 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 211' ' ' GLU . 0.8 OUTLIER -105.63 -1.34 24.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 216' ' ' HIS . . . . . 0.458 ' ND1' ' CZ2' ' A' ' 212' ' ' TRP . 10.7 t60 -112.25 94.78 27.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.571 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 119.99 5.9 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 0.674 ' O ' HG12 ' A' ' 218' ' ' VAL . 78.8 t -135.65 49.47 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 219' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 218' ' ' VAL . 2.1 t-80 36.62 88.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.567 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -69.37 72.83 0.32 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -137.57 -137.04 3.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -174.77 2.05 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.479 1.778 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.898 HD11 ' HA ' ' A' ' 228' ' ' MET . 9.9 tt -164.69 160.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.232 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.55 ' HB3' ' CB ' ' A' ' 227' ' ' GLN . . . -70.63 158.62 87.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.34 3.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 70.85 4.76 55.6 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.55 ' CB ' ' HB3' ' A' ' 224' ' ' ALA . 5.9 mm-40 -108.24 71.33 0.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.435 0.727 . . . . 0.0 110.263 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.898 ' HA ' HD11 ' A' ' 223' ' ' ILE . 0.0 OUTLIER -55.3 86.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 227' ' ' GLN . 0.0 OUTLIER -76.74 104.09 7.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.493 ' O ' HG11 ' A' ' 218' ' ' VAL . 19.1 mt-10 65.08 83.57 0.19 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 231' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 137.7 22.13 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.433 1.754 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.09 -178.56 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.236 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.743 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -53.41 -38.84 58.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 13.2 t -63.19 -41.64 99.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.958 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.19 -38.23 90.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.706 HG12 HG23 ' A' ' 258' ' ' VAL . 24.2 mt -60.44 -29.08 43.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.9 -23.09 61.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.182 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 95.35 21.0 25.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.36 -38.27 16.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 24.4 m -102.45 -1.67 30.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 44.4 t -142.15 151.82 42.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.583 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -90.05 176.03 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 110.445 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.583 ' N ' HG23 ' A' ' 242' ' ' THR . 3.0 tm? -67.18 -50.59 60.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -51.61 -53.6 36.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.456 ' H ' HG22 ' A' ' 242' ' ' THR . 2.3 mm-40 -61.05 -31.43 71.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 246' ' ' GLN . . . . . 0.492 ' CG ' HG11 ' A' ' 258' ' ' VAL . 0.0 OUTLIER -63.95 -67.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.908 HD11 HG21 ' A' ' 180' ' ' THR . 1.0 OUTLIER -46.54 -40.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.42 -50.05 71.83 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.566 1.166 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.595 ' CD1' ' SD ' ' A' ' 228' ' ' MET . 0.7 OUTLIER -62.62 -31.58 72.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 250' ' ' MET . . . . . 0.418 ' HG3' HG12 ' A' ' 258' ' ' VAL . 7.7 mtm -66.94 -23.64 65.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 15.1 t -117.9 21.82 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.427 ' O ' ' CA ' ' A' ' 255' ' ' PRO . 49.7 t-80 -93.32 172.4 8.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.51 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 32.2 t-20 -119.69 114.15 34.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.36 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.51 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -74.96 159.21 98.34 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 120.994 -2.503 . . . . 0.0 111.01 0.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.427 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.07 121.11 6.35 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.483 1.78 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 256' ' ' ILE . . . . . 0.535 HD13 ' CD1' ' A' ' 249' ' ' TRP . 5.9 mt -90.02 116.42 66.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.822 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.2 Cg_endo -74.98 55.74 4.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.531 1.806 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.706 HG23 HG12 ' A' ' 236' ' ' ILE . 0.3 OUTLIER -59.84 -44.29 93.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 259' ' ' GLY . . . . . 0.416 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -69.81 -39.02 76.6 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.72 -32.42 70.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.299 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.822 HD12 ' O ' ' A' ' 257' ' ' PRO . 4.7 mt -73.04 -46.18 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 262' ' ' TYR . . . . . 0.627 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 8.5 t80 -65.35 -48.47 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.711 ' HA ' HD12 ' A' ' 266' ' ' ILE . 0.0 OUTLIER -56.33 -38.8 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 2.7 mtt-85 -62.76 -36.44 83.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.244 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.474 ' CH2' ' HB2' ' A' ' 209' ' ' ALA . 54.7 m0 -62.01 -43.59 98.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.031 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.926 HG22 HD11 ' A' ' 270' ' ' LEU . 36.1 mt -57.17 -47.54 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -28.83 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 268' ' ' LEU . . . . . 0.635 HD22 ' OE1' ' A' ' 208' ' ' GLU . 0.0 OUTLIER -61.3 -57.65 11.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.544 ' C ' HD11 ' A' ' 201' ' ' LEU . . . -62.17 -57.26 17.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.926 HD11 HG22 ' A' ' 266' ' ' ILE . 11.1 mt -45.98 -35.66 4.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -40.18 96.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 269' ' ' GLY . 54.1 tttt -69.14 -37.74 78.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 1.034 HD11 HD13 ' A' ' 201' ' ' LEU . 35.9 mt -62.29 -46.18 97.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.615 HG22 ' N ' ' A' ' 165' ' ' SER . 77.3 t -68.73 -41.8 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -16.38 64.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.0 -37.87 12.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 0.569 ' HB3' ' CD2' ' A' ' 164' ' ' PHE . 0.7 OUTLIER -99.23 14.65 28.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.46 154.96 71.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -41.33 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 67.9 p -112.55 119.01 36.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.7 104.72 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 72.3 mt -80.25 97.38 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.19 150.6 9.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.94 169.87 17.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.517 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -141.99 162.61 35.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.59 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.21 132.0 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.605 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 287' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 288' ' ' HIS . 7.7 t60 -126.43 160.08 31.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.672 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 288' ' ' HIS . . . . . 0.437 ' N ' ' CG ' ' A' ' 287' ' ' HIS . 0.4 OUTLIER -175.76 135.6 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.632 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 25.0 p80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.599 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -174.82 -61.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 4.5 ppt_? 177.68 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.417 ' N ' ' HD2' ' A' ' 4' ' ' ARG . . . -40.51 -61.17 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -141.25 -179.44 6.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.901 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.049 HG11 HG21 ' A' ' 34' ' ' ILE . 3.6 t -62.92 -49.09 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.562 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.8 mt -106.81 153.96 21.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.11 179.82 7.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.052 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.93 -57.57 19.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.78 -39.49 24.6 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.03 -38.41 79.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.554 ' CD1' HD11 ' A' ' 31' ' ' LEU . 6.5 tp -72.03 -34.79 69.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -31.55 70.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -78.17 -44.48 25.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.901 ' CH2' HG23 ' A' ' 81' ' ' THR . 64.0 t-105 -56.43 -48.6 76.65 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.91 -21.75 63.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -92.61 41.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.645 HD11 HG23 ' A' ' 94' ' ' VAL . 67.9 mt -148.01 125.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 151.04 27.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.809 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -73.2 -133.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -71.79 156.61 90.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 128.51 11.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.02 -1.01 60.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.51 -37.55 5.54 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.11 45.27 9.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -126.27 143.17 51.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -107.07 142.85 36.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.793 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -57.0 146.38 27.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.97 165.59 26.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 13' ' ' LEU . 2.6 mm? -61.83 -28.34 69.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -61.95 -44.24 97.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -62.91 -37.74 88.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.604 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.049 HG21 HG11 ' A' ' 7' ' ' VAL . 6.6 mt -61.2 -50.1 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.7 -43.9 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.462 ' CE2' ' OE1' ' A' ' 40' ' ' GLU . 16.7 t90 -62.55 -40.21 96.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 108.063 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 34' ' ' ILE . . . -59.28 -52.9 63.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.239 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -34.83 76.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.094 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -41.1 95.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' OE1' ' CE2' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -64.74 -34.94 79.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.933 ' O ' HG12 ' A' ' 46' ' ' VAL . 95.5 mt -58.74 -49.63 76.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -39.46 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmt-85 -65.69 -32.91 74.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 37.5 t80 -75.91 -0.04 20.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 73.83 36.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.933 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.8 p -124.74 150.06 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.43 126.27 90.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.71 18.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.573 1.828 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.43 -9.62 61.65 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.831 HD12 HD11 ' A' ' 60' ' ' ILE . 25.6 mt -72.96 -33.39 65.84 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.821 HD11 HD22 ' A' ' 85' ' ' LEU . 13.2 tp -70.55 -19.69 62.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.42 -22.12 63.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.95 150.21 48.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.482 ' CB ' ' CG ' ' A' ' 89' ' ' HIS . 93.2 p -65.94 -30.58 71.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.059 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.26 -38.58 71.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.492 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -70.39 -43.21 62.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.577 1.173 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.2 p -66.08 -35.73 81.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -59.79 -45.96 90.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.2 -35.66 75.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.831 HD11 HD12 ' A' ' 50' ' ' LEU . 1.2 mp -69.23 -70.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.7 HD11 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -42.83 -36.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.18 -49.22 76.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.16 19.07 7.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.553 HD21 ' CD1' ' A' ' 78' ' ' LEU . 16.4 tp -110.16 -22.62 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.611 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -53.98 -44.84 98.89 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -74.99 -40.07 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.828 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.1 m -68.2 -11.95 60.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.993 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.9 mt -71.13 -43.99 66.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.172 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -73.94 -6.93 50.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.828 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.2 t -120.67 -4.88 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.617 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -81.15 -99.12 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.468 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 22.5 p 166.24 -176.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.021 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -58.73 -41.29 86.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.46 -46.48 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.617 HD13 ' HA2' ' A' ' 71' ' ' GLY . 6.0 tt -59.38 -34.3 72.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.51 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -61.08 -48.25 82.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 t -54.88 -37.62 66.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -59.03 -47.12 86.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.993 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.3 t80 -66.63 -37.65 85.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.755 ' OD1' HD21 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -60.56 -35.89 77.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.901 HG23 ' CH2' ' A' ' 16' ' ' TRP . 13.0 m -70.64 -44.71 66.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.416 HD13 ' CG2' ' A' ' 60' ' ' ILE . 60.5 mt -63.48 -40.25 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 1.066 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -57.52 -53.68 55.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.52 HG22 ' CB ' ' A' ' 100' ' ' ALA . 5.1 t -58.79 -43.72 88.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.821 HD22 HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -57.67 -41.29 81.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 61.7 t80 -62.81 -49.95 72.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.486 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 2.4 p -61.97 -33.58 74.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.521 HG22 ' HB3' ' A' ' 15' ' ' LYS . 3.5 t -60.82 -40.77 86.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.482 ' CG ' ' CB ' ' A' ' 54' ' ' SER . 0.7 OUTLIER -63.09 -34.2 77.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.585 1.178 . . . . 0.0 109.616 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.459 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 3.4 mm-40 -84.84 -19.42 32.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.82 40.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 103' ' ' LYS . 2.6 mp -76.12 141.23 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.72 106.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.645 HG23 HD11 ' A' ' 19' ' ' ILE . 27.2 m -144.51 152.61 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -140.99 12.48 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.389 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -166.4 160.09 15.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.764 ' O ' HD23 ' A' ' 101' ' ' LEU . 54.4 m -60.84 -37.54 82.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -66.4 -31.76 72.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.403 ' HB2' ' CG ' ' A' ' 96' ' ' ASP . 3.8 tp10 -63.01 -41.95 99.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.867 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.03 -43.03 75.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 97' ' ' THR . 4.4 mm? -56.19 -44.21 79.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -73.49 -39.19 65.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.23 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.55 ' HB3' HG21 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -67.13 -61.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.066 HD13 ' HB1' ' A' ' 83' ' ' ALA . 3.8 pt -55.43 -29.81 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 6.0 tt0 -66.76 -54.03 27.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.07 -51.95 67.43 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -53.97 -53.08 57.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -55.04 -52.42 63.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -53.05 -43.81 66.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -54.82 42.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.7 t -50.78 -51.28 52.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -54.18 -53.65 50.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.81 -47.28 21.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -40.92 97.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.33 -60.55 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 117' ' ' GLN . 1.9 pt20 -59.63 -36.97 77.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 4.7 tm0? -56.03 -56.68 17.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.02 -59.46 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.58 -55.21 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.73 -60.14 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -40.33 -58.43 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 55.3 p -71.02 148.81 47.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.395 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -147.96 88.54 0.15 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 40.49 89.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 0.724 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 55.78 105.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 65.1 p -177.98 135.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -179.34 108.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.586 1.179 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.3 p -173.4 134.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.401 1.063 . . . . 0.0 109.244 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.82 129.34 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.152 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 179.06 151.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 176.21 167.82 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -174.41 93.09 0.31 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.148 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 144.49 30.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.561 1.822 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 134' ' ' ILE . 0.6 OUTLIER -171.71 113.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.7 p -160.16 150.46 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 135.64 54.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.421 1.076 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -168.88 119.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.3 pp -172.68 154.69 3.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 179.12 130.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 174.99 171.29 38.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -135.6 169.32 17.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 0.719 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -172.9 134.11 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.1 t -143.12 151.56 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.417 ' HB2' HG23 ' A' ' 247' ' ' ILE . 0.1 OUTLIER -109.83 142.42 41.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.29 147.83 28.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.93 -176.19 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.81 HD12 ' OD1' ' A' ' 183' ' ' ASP . 2.1 tt -88.23 143.39 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.8 164.97 37.37 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 -25.83 11.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.434 1.755 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -65.61 -37.06 85.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.668 HG21 HG12 ' A' ' 147' ' ' ILE . 0.4 OUTLIER -67.41 -37.28 82.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.158 . . . . 0.0 110.361 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 1.002 HD21 HG22 ' A' ' 186' ' ' THR . 28.6 mt -67.76 -43.65 79.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.366 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -67.5 -40.03 85.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -63.21 -48.63 77.49 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.599 ' HE1' HG23 ' A' ' 191' ' ' VAL . 56.6 t-105 -62.03 -44.51 96.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 108.079 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 152' ' ' LEU . 24.6 t -45.41 -43.44 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -35.11 73.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 154' ' ' ALA . 71.3 t -63.43 -37.78 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.931 HG13 ' HB2' ' A' ' 163' ' ' ALA . 60.4 t -63.66 -46.4 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -23.77 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -45.53 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 1.025 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.0 OUTLIER 176.17 69.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.931 ' HB2' HG13 ' A' ' 159' ' ' VAL . . . -35.48 -47.03 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' A' ' 164' ' ' PHE . 11.7 p90 -118.43 142.55 47.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.501 ' N ' HG22 ' A' ' 274' ' ' VAL . 0.0 OUTLIER 170.95 171.57 0.18 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -19.33 17.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -103.85 4.94 35.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 1.025 HG21 ' O ' ' A' ' 162' ' ' LYS . 10.7 t -103.3 -33.71 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 3.2 mm -52.56 -45.45 95.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 109.221 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.89 -36.0 2.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -35.49 79.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.385 1.053 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.806 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 2.2 t80 -64.3 -44.35 91.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.9 p -60.1 -34.0 72.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.99 89.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -11.57 59.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.854 ' OG ' HD21 ' A' ' 184' ' ' LEU . 25.7 t -108.05 13.89 25.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 110.046 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -43.55 102.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 41.84 61.6 2.22 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.565 1.165 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.8 -177.18 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.861 HG21 HD11 ' A' ' 247' ' ' ILE . 1.0 OUTLIER -110.99 -178.39 0.53 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.467 1.105 . . . . 0.0 110.39 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.593 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.4 Cg_endo -74.94 -37.99 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.428 ' CB ' ' HG ' ' A' ' 243' ' ' LEU . 0.6 OUTLIER -69.82 -31.09 68.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.81 ' OD1' HD12 ' A' ' 147' ' ' ILE . 2.3 t0 -79.9 -49.17 12.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.854 HD21 ' OG ' ' A' ' 176' ' ' SER . 47.2 mt -63.3 -37.45 87.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -63.62 -37.06 85.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' THR . . . . . 1.002 HG22 HD21 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -60.74 -43.55 97.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.44 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.559 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -70.02 -45.24 67.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.634 HD21 ' CE2' ' A' ' 172' ' ' PHE . 13.6 mt -63.04 -22.65 67.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -74.98 -45.34 42.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 187' ' ' MET . 4.8 t -76.91 -9.84 58.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.599 HG23 ' HE1' ' A' ' 155' ' ' TRP . 0.5 OUTLIER -52.63 -175.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.511 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -170.15 56.45 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 193' ' ' GLY . . . . . 0.596 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -108.29 28.18 12.39 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 79.29 147.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.779 . . . . 0.0 109.661 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -68.96 -38.11 79.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.17 -49.28 76.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.17 -49.8 76.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.579 ' HE2' HG11 ' A' ' 191' ' ' VAL . 2.2 mmt -57.96 -33.44 68.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -61.82 -54.5 41.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 44.7 mtm -58.95 -46.34 88.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.849 ' HB2' HD11 ' A' ' 273' ' ' ILE . 2.6 tp -60.21 -34.36 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -68.38 -41.3 80.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -41.08 88.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.92 -47.99 67.22 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.85 HD11 ' HA ' ' A' ' 266' ' ' ILE . 15.4 mt -61.02 -53.58 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -58.54 -40.84 84.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.251 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.15 -29.54 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -65.03 -34.14 77.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.722 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -71.49 -50.19 33.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.09 80.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.208 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.72 80.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.09 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 212' ' ' TRP . . . . . 0.969 ' CE3' HD11 ' A' ' 215' ' ' LEU . 59.7 t-105 -57.69 -53.23 60.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -56.16 -33.29 65.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -41.23 91.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.969 HD11 ' CE3' ' A' ' 212' ' ' TRP . 3.3 pp -95.21 -1.11 52.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -111.52 97.47 36.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 109.584 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.18 6.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.426 1.75 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 0.968 HG22 ' OE2' ' A' ' 230' ' ' GLU . 77.0 t -114.41 148.64 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -126.56 106.59 9.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.643 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -75.52 59.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -121.42 -140.2 5.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 123.9 8.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 223' ' ' ILE . . . . . . . . . . . . . 3.1 pt -100.51 159.41 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.651 ' HB3' ' CB ' ' A' ' 227' ' ' GLN . . . -65.14 154.51 86.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 112.24 3.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.444 1.76 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 90.7 -25.39 13.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.117 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.651 ' CB ' ' HB3' ' A' ' 224' ' ' ALA . 1.4 tm0? -73.58 106.87 5.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.409 ' HB2' ' NE2' ' A' ' 252' ' ' HIS . 0.1 OUTLIER -48.12 135.3 13.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -52.26 172.57 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.968 ' OE2' HG22 ' A' ' 218' ' ' VAL . 38.6 tt0 -100.39 108.49 53.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.573 ' HD2' ' CZ2' ' A' ' 249' ' ' TRP . 18.5 Cg_endo -74.92 -173.69 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 232' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 235' ' ' ASP . 1.9 ptp180 -118.25 174.55 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.229 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.722 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -55.09 -35.18 59.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 234' ' ' SER . . . . . 0.97 ' O ' HG22 ' A' ' 239' ' ' THR . 0.4 OUTLIER -59.97 -36.25 76.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 109.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 235' ' ' ASP . . . . . 0.428 ' OD1' ' CG ' ' A' ' 232' ' ' ARG . 1.8 m-20 -67.55 -36.04 80.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.541 HD13 HG21 ' A' ' 261' ' ' ILE . 36.0 mt -60.56 -31.38 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -79.6 -22.27 43.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.22 20.78 29.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 239' ' ' THR . . . . . 0.97 HG22 ' O ' ' A' ' 234' ' ' SER . 9.0 t -89.74 -29.76 18.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 240' ' ' THR . . . . . 0.862 HG23 HG23 ' A' ' 239' ' ' THR . 25.7 p -116.7 -0.8 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 7.2 p -144.93 153.84 41.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -91.99 167.27 12.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.665 ' CD1' HD13 ' A' ' 247' ' ' ILE . 2.3 tm? -55.98 -48.3 76.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.227 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.14 -47.23 45.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.82 -35.28 77.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 246' ' ' GLN . . . . . 0.467 ' HG3' ' CG ' ' A' ' 181' ' ' PRO . 87.9 mm-40 -64.21 -58.65 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.861 HD11 HG21 ' A' ' 180' ' ' THR . 0.9 OUTLIER -58.75 -39.2 76.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.62 57.72 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.718 ' CZ2' HD13 ' A' ' 256' ' ' ILE . 0.0 OUTLIER -65.67 -31.57 72.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 2.8 mtm -68.54 -22.78 64.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.9 p -118.09 21.97 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.1 OUTLIER -81.54 173.39 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 4.2 m120 -121.92 111.35 32.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -75.05 159.25 98.24 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.018 0.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -74.93 119.95 5.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 256' ' ' ILE . . . . . 0.718 HD13 ' CZ2' ' A' ' 249' ' ' TRP . 6.0 mt -95.44 128.57 37.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.45 4.26 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.559 1.821 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.485 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.5 OUTLIER -60.48 -44.78 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.21 -34.49 88.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -32.36 71.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 0.741 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.541 HG21 HD13 ' A' ' 236' ' ' ILE . 10.5 mt -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 262' ' ' TYR . . . . . 0.593 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 12.3 t80 -65.67 -37.96 87.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -60.97 -45.59 94.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.413 ' N ' ' HD2' ' A' ' 263' ' ' LYS . 2.4 ttt180 -64.44 -31.53 72.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 110.226 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.452 ' CH2' ' HB ' ' A' ' 236' ' ' ILE . 46.5 m0 -61.94 -47.48 84.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.019 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.85 ' HA ' HD11 ' A' ' 205' ' ' ILE . 81.6 mt -57.38 -44.78 84.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -35.45 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -54.35 48.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.734 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.36 -60.27 8.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.808 ' CD1' HG22 ' A' ' 266' ' ' ILE . 13.2 mt -45.21 -32.35 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -46.85 84.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 269' ' ' GLY . 16.4 tttt -69.09 -37.58 78.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 0.849 HD11 ' HB2' ' A' ' 201' ' ' LEU . 52.5 mt -62.97 -40.98 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.501 HG22 ' N ' ' A' ' 165' ' ' SER . 22.2 t -71.83 -44.98 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -58.85 -16.36 16.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.75 -37.84 11.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.182 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.47 17.73 15.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.03 150.15 92.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 57.36 4.56 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.444 1.76 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 280' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 281' ' ' SER . 4.2 t -173.0 -49.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 281' ' ' SER . . . . . 0.411 ' N ' HG23 ' A' ' 280' ' ' THR . 6.2 t 65.35 141.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -152.48 148.71 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 283' ' ' LEU . . . . . 0.505 HD23 ' H ' ' A' ' 283' ' ' LEU . 1.7 pt? -117.98 156.38 28.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -123.99 119.61 30.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.45 1.093 . . . . 0.0 109.655 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -42.28 151.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.568 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -79.96 152.45 29.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.631 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.1 173.22 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.619 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 66.47 134.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.602 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.611 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.14 103.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.02 142.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.13 142.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.599 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.7 p 177.83 100.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.975 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.955 HG11 HG21 ' A' ' 34' ' ' ILE . 3.0 t -157.5 -65.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.596 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -98.2 152.21 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.93 179.65 7.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.007 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.33 -57.91 17.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.564 1.165 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.71 -41.02 25.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.24 -38.93 81.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 0.807 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 9' ' ' SER . 5.3 tp -67.41 -42.82 82.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.55 -32.13 62.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -45.63 41.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.754 ' CH2' HG23 ' A' ' 81' ' ' THR . 68.4 t-105 -57.14 -48.19 79.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.019 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.8 -25.38 67.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -87.62 47.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.394 1.059 . . . . 0.0 109.366 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.9 mm -131.23 141.19 46.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -108.56 152.12 25.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.559 HD12 ' HB3' ' A' ' 26' ' ' LYS . 32.2 mt -109.19 -145.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -94.58 166.4 15.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 130.13 12.95 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.12 -1.12 60.65 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.25 -157.09 14.36 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.559 ' HB3' HD12 ' A' ' 21' ' ' LEU . 11.5 tptt -56.24 -34.11 66.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.63 0.841 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 5.9 tttt 81.06 -2.9 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.224 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.443 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 14.7 pt20 -172.78 155.68 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.508 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -81.72 153.21 26.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.0 169.56 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -61.04 -28.29 68.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -46.15 91.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -62.93 -35.71 80.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.637 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.955 HG21 HG11 ' A' ' 7' ' ' VAL . 3.5 mt -62.71 -49.46 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.93 -44.28 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.386 1.054 . . . . 0.0 109.332 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.402 ' CZ3' ' HB2' ' A' ' 78' ' ' LEU . 87.2 t90 -62.59 -40.04 95.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.618 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -58.93 -53.11 62.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -34.87 74.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -41.06 94.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.52 -34.86 79.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.86 ' O ' HG12 ' A' ' 46' ' ' VAL . 47.0 mt -58.74 -49.46 77.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -56.93 -41.59 78.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -58.47 -38.15 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.536 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 8.2 t80 -75.98 -7.12 53.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 73.24 48.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.86 HG12 ' O ' ' A' ' 41' ' ' LEU . 10.5 p -124.97 150.08 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -64.11 131.1 94.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.86 18.34 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.93 -12.17 56.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.5 mt -72.64 -40.69 66.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.757 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.604 HD12 ' SG ' ' A' ' 57' ' ' CYS . 9.7 tp -68.57 -9.97 52.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.21 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.38 -22.06 32.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -125.71 152.01 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.455 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.502 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 33.8 t -66.46 -30.94 71.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.24 -49.9 67.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -69.94 -36.07 72.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.604 ' SG ' HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -63.63 -42.59 98.15 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.549 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 1.4 ttp180 -59.98 -37.49 79.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.25 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -38.51 88.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 1.4 mp -63.28 -65.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.85 HD11 ' CE1' ' A' ' 79' ' ' TYR . 9.8 tp -51.7 -27.49 11.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.01 -48.58 25.89 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -90.8 16.22 9.72 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 0.79 . . . . 0.0 110.224 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.505 HD23 ' CD2' ' A' ' 79' ' ' TYR . 20.6 tp -111.95 -25.29 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.6 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.4 tm0? -52.85 -45.41 97.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.7 Cg_endo -74.95 -39.87 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.801 ' HA ' HG22 ' A' ' 70' ' ' THR . 67.3 m -68.48 -12.14 60.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.955 HD11 ' CG ' ' A' ' 79' ' ' TYR . 7.2 mt -71.21 -43.92 66.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.31 -6.67 49.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.37 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.801 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.54 -4.59 9.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.591 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -82.08 -99.86 0.44 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 14.4 p 167.84 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -41.41 87.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -71.58 -46.38 59.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.591 HD13 ' HA2' ' A' ' 71' ' ' GLY . 6.5 tt -59.3 -34.21 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.503 ' HA ' HD22 ' A' ' 68' ' ' LEU . 45.0 ttm180 -61.68 -47.81 83.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -36.38 65.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.946 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.641 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -60.31 -47.31 86.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.955 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.5 t80 -64.52 -42.15 95.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.557 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.1 t-20 -54.99 -33.19 62.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.754 HG23 ' CH2' ' A' ' 16' ' ' TRP . 2.6 m -70.36 -48.28 57.07 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.607 1.192 . . . . 0.0 110.405 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.404 HG22 ' HB2' ' A' ' 61' ' ' LEU . 5.5 mt -63.27 -32.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.96 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -59.63 -56.14 25.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.646 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.9 t -57.81 -42.22 81.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.624 HD12 ' CE3' ' A' ' 16' ' ' TRP . 1.8 tp -56.7 -46.51 81.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.549 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 49.0 t80 -59.75 -33.9 72.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.529 ' SG ' HG11 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -72.67 -35.77 67.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 108.257 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.9 t -65.35 -32.95 60.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 17.7 m-70 -69.14 -38.99 79.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.635 ' CB ' HD11 ' A' ' 92' ' ' ILE . 0.3 OUTLIER -84.88 -20.09 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' CYS . 25.6 ttt180 71.47 47.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.635 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.7 mp -86.25 141.74 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -62.22 105.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.529 HG11 ' SG ' ' A' ' 87' ' ' CYS . 31.1 m -134.38 173.01 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.46 -48.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.81 171.2 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.557 HG22 ' CG ' ' A' ' 80' ' ' ASN . 55.6 m -59.65 -46.83 87.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 110.388 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -31.16 69.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -68.41 -36.26 78.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.865 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.4 -47.22 64.86 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 97' ' ' THR . 1.2 mm? -55.71 -37.69 68.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.9 -47.67 36.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.42 ' HG2' HG22 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -64.47 -57.79 8.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.96 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 2.1 pt -54.88 -30.49 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -69.04 -53.95 17.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -51.79 68.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -53.23 -52.61 58.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.208 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -55.0 -52.48 62.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -53.03 -44.01 67.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -58.99 -57.62 12.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.375 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.43 -46.17 26.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.01 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.85 -55.32 23.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -56.62 16.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -44.51 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.98 90.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -56.95 -60.48 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.349 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.503 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 18.9 pt20 -53.07 -45.94 68.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.401 ' N ' ' HG3' ' A' ' 117' ' ' GLN . . . -53.39 -56.46 16.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 122' ' ' THR . . . -43.54 -34.78 1.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -73.74 -60.51 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' THR . 0.4 OUTLIER -47.16 -65.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 109.224 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 119' ' ' ALA . 2.0 p 38.03 69.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -157.15 164.5 32.88 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.475 1.11 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 173.82 167.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.303 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -52.58 167.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.239 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.8 170.48 21.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.107 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.02 170.42 14.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -141.58 176.35 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.97 170.48 12.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -143.86 171.45 14.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -140.01 167.81 21.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.517 ' CG ' ' HD2' ' A' ' 133' ' ' PRO . 0.5 OUTLIER -132.59 155.76 80.86 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 132' ' ' TYR . 18.4 Cg_endo -74.96 179.7 5.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 111.077 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 3.6 tp -173.96 148.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 66.3 t 63.48 140.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -173.24 171.38 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 174.51 167.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.395 1.06 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.5 pp -175.32 160.87 2.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.373 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 179.14 159.11 0.62 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -160.62 162.18 33.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.412 1.07 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.14 147.96 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -155.02 167.73 29.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.6 p -160.27 148.05 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.531 ' CG ' HG23 ' A' ' 247' ' ' ILE . 1.5 m80 -87.49 142.62 27.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.64 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.9 148.38 28.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.36 -176.48 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.763 HD12 ' OD1' ' A' ' 183' ' ' ASP . 1.0 OUTLIER -86.33 143.12 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.05 160.22 52.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -23.05 14.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.5 -37.31 86.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.735 ' OG1' HD21 ' A' ' 175' ' ' LEU . 0.6 OUTLIER -67.18 -36.77 82.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.968 HD21 HG22 ' A' ' 186' ' ' THR . 26.9 mt -65.61 -42.83 91.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -43.68 80.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.18 77.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.429 ' CE2' HG23 ' A' ' 159' ' ' VAL . 33.1 t-105 -62.27 -46.92 86.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.921 HG23 ' O ' ' A' ' 152' ' ' LEU . 40.7 t -48.28 -43.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -61.51 -36.94 81.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 1.106 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.83 -37.64 73.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.502 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 15.9 t -68.92 -34.52 64.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.09 -40.0 60.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.42 -76.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.704 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 3.0 mmpt? -69.23 -70.9 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.34 -48.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 277' ' ' TYR . 23.6 p90 -162.29 126.68 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.524 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -178.27 170.1 0.86 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.026 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -18.95 18.48 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.561 1.821 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.89 1.54 55.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -104.98 -33.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.2 mm -55.76 -44.52 99.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.01 -35.82 2.9 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.42 1.747 . . . . 0.0 111.083 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.27 -39.67 93.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.489 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 39.8 t80 -66.37 -29.75 69.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.6 p -73.18 -27.08 61.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.56 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.735 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -76.64 -30.39 56.82 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.573 ' HB2' HD21 ' A' ' 184' ' ' LEU . 59.5 p -97.42 13.94 28.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.939 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -41.96 104.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.218 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.23 73.24 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.44 ' HB3' ' HG ' ' A' ' 184' ' ' LEU . . . -104.13 -174.39 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 0.798 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.902 HG21 HD11 ' A' ' 247' ' ' ILE . 1.9 p -103.73 -179.18 0.73 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 110.438 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -38.83 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.58 -36.65 76.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.763 ' OD1' HD12 ' A' ' 147' ' ' ILE . 3.9 t0 -76.7 -48.67 18.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.229 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.573 HD21 ' HB2' ' A' ' 176' ' ' SER . 32.4 mt -59.61 -47.72 84.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -55.46 -36.23 66.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.968 HG22 HD21 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -64.64 -46.89 80.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.434 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.568 ' O ' HG22 ' A' ' 190' ' ' THR . 1.7 ttp -63.36 -45.38 91.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 111.027 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.693 HD22 ' HE1' ' A' ' 198' ' ' MET . 13.1 mt -71.11 -18.94 62.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.03 -45.55 33.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 187' ' ' MET . 13.1 t -71.03 -17.48 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.591 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -51.12 -179.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.466 ' H ' HG22 ' A' ' 191' ' ' VAL . . . 171.15 59.6 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.549 1.156 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -97.21 -52.77 1.43 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.13 130.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 0.785 . . . . 0.0 109.625 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -57.49 -39.72 77.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.97 -49.43 75.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.498 ' HB1' ' CG2' ' A' ' 273' ' ' ILE . . . -59.44 -49.39 77.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.693 ' HE1' HD22 ' A' ' 188' ' ' LEU . 3.7 mmt -58.05 -33.26 68.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -54.44 41.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.231 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -43.85 98.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.717 HD12 ' HA3' ' A' ' 269' ' ' GLY . 2.9 tp -57.61 -37.15 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -68.16 -36.84 80.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.93 -46.46 74.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.54 -48.97 70.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.893 HD11 ' HA ' ' A' ' 266' ' ' ILE . 14.0 mt -58.86 -53.46 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -58.12 -39.01 77.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.22 -29.8 70.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 208' ' ' GLU . . . . . 0.425 ' HB3' ' CE2' ' A' ' 265' ' ' TRP . 0.0 OUTLIER -66.79 -36.9 83.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.552 ' HB1' ' HA3' ' A' ' 233' ' ' GLY . . . -70.69 -49.76 43.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.92 75.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -34.42 76.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 212' ' ' TRP . . . . . 0.401 ' CE2' ' CD2' ' A' ' 216' ' ' HIS . 74.1 t-105 -60.48 -64.86 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -56.16 -33.17 64.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -40.05 88.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.602 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.5 pp -93.53 3.48 55.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.236 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 216' ' ' HIS . . . . . 0.401 ' CD2' ' CE2' ' A' ' 212' ' ' TRP . 0.2 OUTLIER -111.62 97.22 35.99 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.539 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 109.93 3.02 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 0.403 HG12 ' HG3' ' A' ' 230' ' ' GLU . 29.8 m -92.8 60.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -169.32 77.61 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.604 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -178.05 96.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 91.05 139.69 8.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.572 1.17 . . . . 0.0 111.064 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 152.38 40.99 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.604 HD13 ' N ' ' A' ' 224' ' ' ALA . 0.3 OUTLIER -59.31 125.97 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.925 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -57.16 154.1 22.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 110.38 3.11 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.445 1.761 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 95.7 -24.02 31.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.157 . . . . 0.0 111.061 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.925 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 34.3 mt-30 -72.26 170.1 14.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.551 ' HG2' ' CD1' ' A' ' 249' ' ' TRP . 2.7 tpp -108.35 120.32 42.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 0.459 ' CZ ' ' HB ' ' A' ' 223' ' ' ILE . 2.4 ttt180 -48.81 177.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.403 ' HG3' HG12 ' A' ' 218' ' ' VAL . 0.1 OUTLIER -104.31 105.63 50.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.584 ' HD2' ' CH2' ' A' ' 249' ' ' TRP . 18.3 Cg_endo -74.92 -168.6 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -108.44 176.91 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.552 ' HA3' ' HB1' ' A' ' 209' ' ' ALA . . . -59.87 -37.29 92.34 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 13.6 m -60.11 -29.53 68.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.944 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 235' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.3 OUTLIER -74.44 -35.97 63.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.709 HD13 HG21 ' A' ' 261' ' ' ILE . 32.3 mt -60.62 -29.61 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.29 62.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 84.29 23.0 53.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.45 -38.26 13.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 110.41 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 240' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 240' ' ' THR . 14.5 m -104.06 -0.54 28.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.408 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 241' ' ' SER . . . . . 0.407 ' CB ' ' OD1' ' A' ' 235' ' ' ASP . 2.6 t -135.95 138.35 42.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.33 174.88 8.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.363 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.647 HD13 ' CG1' ' A' ' 247' ' ' ILE . 2.9 tm? -66.27 -59.9 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -49.36 -24.36 1.88 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -49.59 43.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 246' ' ' GLN . . . . . 0.44 ' OE1' HG13 ' A' ' 258' ' ' VAL . 24.9 mt-30 -69.5 -41.65 75.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.902 HD11 HG21 ' A' ' 180' ' ' THR . 47.5 mm -51.02 -58.54 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.19 -44.41 97.43 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.869 ' CZ3' HG21 ' A' ' 256' ' ' ILE . 0.3 OUTLIER -56.0 -31.48 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 7.9 ttm -70.05 -38.86 75.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 251' ' ' THR . . . . . 0.4 HG22 ' HA2' ' A' ' 248' ' ' GLY . 14.3 t -105.3 22.38 15.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.1 OUTLIER -85.0 171.8 11.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 66.6 m-80 -121.94 111.2 32.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.1 Cg_endo -75.05 159.21 98.29 Favored 'Cis proline' 0 C--N 1.359 1.082 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.944 0.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 256' ' ' ILE . . . . . 0.869 HG21 ' CZ3' ' A' ' 249' ' ' TRP . 1.5 mt -95.17 116.37 66.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 54.96 3.83 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.448 1.762 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.633 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.8 OUTLIER -55.76 -40.36 60.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.27 -40.49 98.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.15 -32.35 70.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 110.336 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.709 HG21 HD13 ' A' ' 236' ' ' ILE . 73.0 mt -64.71 -46.6 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -74.77 -39.09 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.483 ' CE ' HD13 ' A' ' 267' ' ' ILE . 0.4 OUTLIER -61.29 -45.6 93.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -62.6 -33.07 74.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.566 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 51.3 m0 -61.97 -47.87 82.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.893 ' HA ' HD11 ' A' ' 205' ' ' ILE . 77.6 mt -57.77 -45.08 87.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.483 HD13 ' CE ' ' A' ' 263' ' ' LYS . 0.8 OUTLIER -59.96 -35.61 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -54.85 42.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.717 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.14 -59.35 9.65 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.83 HD11 HG22 ' A' ' 266' ' ' ILE . 13.6 mt -44.35 -33.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -63.78 -46.47 85.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 269' ' ' GLY . 4.2 tttt -67.9 -37.5 81.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 0.697 HD11 ' HB2' ' A' ' 201' ' ' LEU . 49.8 mt -62.9 -43.02 98.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 165' ' ' SER . 24.8 t -68.99 -46.0 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -58.59 -16.47 15.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 4.2 ttt -93.62 -37.8 11.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 0.554 ' HB3' ' CD1' ' A' ' 164' ' ' PHE . 0.2 OUTLIER -96.77 18.08 15.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 153.13 92.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.99 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.428 1.751 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 3.0 m -131.21 121.17 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 91.4 p -113.68 167.22 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 1.8 tp -131.93 147.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.71 158.8 17.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -176.84 137.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.64 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -177.29 172.59 1.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.92 132.58 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -176.78 151.7 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.403 1.065 . . . . 0.0 109.656 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.01 133.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.588 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.64 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 4' ' ' ARG . . . -177.25 154.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 3' ' ' ALA . 0.6 OUTLIER -38.95 153.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 54.59 176.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.451 ' O ' HG23 ' A' ' 7' ' ' VAL . 6.8 m 69.81 93.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.007 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.04 HG11 HG21 ' A' ' 34' ' ' ILE . 37.0 t -153.22 -64.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.603 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -103.66 155.15 18.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.86 179.95 7.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 0.0 109.975 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.59 -58.03 16.73 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.93 -40.67 20.59 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.78 -39.9 82.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 0.796 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 31' ' ' LEU . 4.0 tp -67.7 -44.18 78.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -55.86 -37.08 68.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -70.31 -45.42 66.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.633 ' CE3' ' CD1' ' A' ' 85' ' ' LEU . 39.1 t-105 -56.29 -53.25 59.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.02 -15.78 57.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.54 10.83 14.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 2.4 mm -95.03 144.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.462 ' O ' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -108.96 156.78 19.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -137.68 -143.63 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.199 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.483 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 167.71 -53.95 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.04 128.4 11.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.788 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.76 -0.74 61.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.567 1.167 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.25 104.55 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.703 ' HB3' HD12 ' A' ' 21' ' ' LEU . 1.3 tppt? -176.48 -70.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 1.1 tttt 81.08 -1.9 1.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 13.4 tt0 -165.48 143.2 5.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.693 ' CD2' HD21 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -87.64 151.05 23.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -143.02 172.39 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.41 -27.82 68.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -45.71 92.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -36.01 82.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.6 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.04 HG21 HG11 ' A' ' 7' ' ' VAL . 4.3 mt -63.66 -50.17 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.92 -43.35 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -62.82 -40.61 97.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 107.981 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.788 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.4 -52.56 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.365 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.466 ' HA ' HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -61.55 -34.83 76.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -60.91 -41.04 95.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.326 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -64.63 -36.77 85.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.891 ' O ' HG12 ' A' ' 46' ' ' VAL . 85.5 mt -59.21 -47.48 85.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -57.1 -39.57 75.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -58.15 -38.73 77.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.485 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 27.2 t80 -76.34 -2.81 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 70.72 47.0 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.571 1.169 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.891 HG12 ' O ' ' A' ' 41' ' ' LEU . 7.4 p -124.79 150.03 29.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -64.44 134.38 95.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -18.76 18.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.436 1.756 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.51 -12.36 55.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.496 HD12 HG22 ' A' ' 46' ' ' VAL . 25.0 mt -72.9 -32.86 65.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.495 HD11 ' CD2' ' A' ' 85' ' ' LEU . 10.5 tp -77.87 -16.01 58.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.47 -22.19 54.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.3 p -125.87 152.59 45.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.473 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 1.9 t -67.19 -30.48 70.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.9 -49.81 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.545 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -63.92 -35.06 91.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.413 ' SG ' HD12 ' A' ' 51' ' ' LEU . 3.7 m -63.89 -41.05 97.8 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.0 ttp85 -59.91 -37.8 80.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -65.69 -37.58 86.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.811 HG21 HD13 ' A' ' 82' ' ' ILE . 1.5 mp -75.03 -75.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' A' ' 79' ' ' TYR . 11.5 tp -41.67 -34.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.58 -49.32 74.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.8 OUTLIER -97.6 23.14 8.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.54 HD21 ' CD1' ' A' ' 78' ' ' LEU . 15.0 tp -111.13 -25.68 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.604 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.8 tm0? -53.11 -45.13 98.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.9 -40.3 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.822 ' HA ' HG22 ' A' ' 70' ' ' THR . 19.3 m -68.58 -11.7 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.977 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.7 mt -71.2 -43.71 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -73.72 -7.19 51.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.822 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.4 t -120.84 -4.93 9.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.587 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -80.63 -98.72 0.34 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 0.0 111.066 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.476 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 23.9 p 165.85 -176.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -41.36 88.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 12.4 pt-20 -71.33 -46.05 61.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.587 HD13 ' HA2' ' A' ' 71' ' ' GLY . 6.7 tt -59.98 -34.33 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.501 ' HA ' HD22 ' A' ' 68' ' ' LEU . 75.1 ttt180 -61.01 -48.96 79.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.223 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -37.25 65.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.054 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.637 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -59.77 -47.21 86.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.977 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.9 t80 -65.8 -37.63 86.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.621 ' OD1' HG22 ' A' ' 97' ' ' THR . 0.2 OUTLIER -62.94 -32.03 73.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.788 HG21 ' HB2' ' A' ' 37' ' ' ALA . 1.8 m -70.18 -48.17 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.435 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.811 HD13 HG21 ' A' ' 60' ' ' ILE . 62.9 mt -64.06 -40.55 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.957 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -53.05 -56.59 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.641 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.9 t -58.26 -42.24 83.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.633 ' CD1' ' CE3' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -56.86 -36.69 70.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -59.69 -50.49 73.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.471 ' HB3' HG11 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -62.94 -37.02 85.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.3 t -63.66 -38.2 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 4.3 m-70 -58.03 -40.23 80.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.485 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -91.54 -7.45 50.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 65.31 40.87 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.485 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.5 mp -75.88 141.24 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.96 91.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.239 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 87' ' ' CYS . 29.3 m -110.89 173.41 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -137.37 -77.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.33 170.95 7.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.621 HG22 ' OD1' ' A' ' 80' ' ' ASN . 22.0 m -60.89 -43.05 99.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.371 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -31.69 72.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.13 -31.61 71.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.853 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -70.99 -40.94 71.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 1.9 mp -56.7 -48.0 78.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -72.18 -40.25 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -64.72 -62.48 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.957 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.6 pt -55.97 -28.05 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -68.4 -53.49 23.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -56.03 -51.97 65.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.78 -52.19 57.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -55.05 -52.74 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -53.02 -43.86 66.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -58.93 -55.6 33.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -50.51 48.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.046 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.22 -54.24 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -51.32 -53.64 33.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.65 -50.63 42.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.55 -54.38 38.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -50.29 -50.13 51.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -54.65 -54.74 37.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 122' ' ' THR . . . -52.97 -42.03 65.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.37 90.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.42 8.42 19.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.605 1.19 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -100.64 -55.49 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 118' ' ' ALA . 77.3 p -38.69 121.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -123.07 -61.71 0.2 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 12.6 m120 63.74 130.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -174.4 167.8 3.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 80.8 p -158.99 164.31 35.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.85 162.8 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 110.348 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.3 p -162.73 160.14 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 109.273 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.57 143.47 0.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 179.76 166.49 1.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -173.98 143.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -144.57 93.42 5.77 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.61 34.99 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 111.042 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.774 HD13 ' N ' ' A' ' 135' ' ' VAL . 0.0 OUTLIER -169.9 128.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.774 ' N ' HD13 ' A' ' 134' ' ' ILE . 35.3 m -123.88 156.93 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.09 97.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 110.248 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.512 ' O ' HD22 ' A' ' 138' ' ' LEU . 16.8 p30 -83.23 131.16 35.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.512 HD22 ' O ' ' A' ' 137' ' ' ASN . 0.7 OUTLIER -133.19 63.86 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.4 1.062 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.03 158.83 30.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -145.57 62.03 0.47 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.22 162.89 25.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.34 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.47 101.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -101.06 146.56 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.89 142.35 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.577 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -82.33 147.88 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.85 175.23 8.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.506 HG12 HG21 ' A' ' 151' ' ' THR . 0.6 OUTLIER -92.57 143.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.04 159.98 53.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.952 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.01 14.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -65.83 -37.33 85.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.506 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -69.07 -32.54 72.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.925 ' O ' HG23 ' A' ' 156' ' ' VAL . 24.1 mt -63.7 -42.69 97.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -68.07 -44.5 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -57.38 -49.01 77.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.688 ' HE1' HG23 ' A' ' 191' ' ' VAL . 26.4 t-105 -62.15 -47.86 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 152' ' ' LEU . 36.1 t -45.62 -43.42 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.44 -36.73 83.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.674 HG11 ' HE2' ' A' ' 171' ' ' MET . 93.1 t -63.37 -44.83 99.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.515 HG22 ' CZ2' ' A' ' 155' ' ' TRP . 92.3 t -58.71 -46.35 90.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -30.61 71.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.72 -56.16 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.705 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -164.4 66.27 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.71 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -38.69 -49.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.402 ' CZ ' ' HA2' ' A' ' 193' ' ' GLY . 1.7 m-85 -110.25 121.83 46.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.586 ' O ' HG12 ' A' ' 168' ' ' VAL . 0.1 OUTLIER 172.98 168.78 0.25 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.982 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.12 18.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.604 1.844 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.77 1.75 53.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.71 HG11 ' O ' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -103.67 -33.9 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 18.5 mm -56.97 -44.49 99.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.0 Cg_endo -75.1 -35.96 2.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.586 1.835 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.674 ' HE2' HG11 ' A' ' 158' ' ' VAL . 1.6 mmm -62.2 -40.89 97.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.932 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 6.8 t80 -69.11 -44.4 72.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.8 p -58.9 -37.56 76.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.64 91.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.432 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -74.21 -13.63 60.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.651 ' HB2' HD21 ' A' ' 184' ' ' LEU . 5.3 p -104.86 14.01 30.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.071 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.23 108.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 39.33 65.83 0.79 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.74 -178.03 3.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.832 HG21 HD11 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -115.25 -174.44 0.27 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.082 . . . . 0.0 110.393 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -41.63 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -34.22 73.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.25 -45.12 27.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.651 HD21 ' HB2' ' A' ' 176' ' ' SER . 19.9 mt -63.84 -40.58 96.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.02 -35.67 77.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.831 HG22 HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -60.86 -46.79 89.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.45 ' CG ' ' CD1' ' A' ' 155' ' ' TRP . 1.6 ttt -70.21 -40.89 74.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.5 mp -71.39 -12.82 61.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -84.73 -48.92 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.545 ' CG2' HD22 ' A' ' 152' ' ' LEU . 4.2 t -81.19 -0.89 42.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.384 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.897 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.9 OUTLIER -59.71 -176.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.565 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -159.21 53.22 0.37 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 193' ' ' GLY . . . . . 0.752 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -107.54 27.47 15.13 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 74.29 149.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 0.813 . . . . 0.0 109.626 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -37.99 73.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.216 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.42 76.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.752 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.18 -48.91 79.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.897 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.89 -37.83 74.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -54.5 31.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -58.67 -29.43 66.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 1.042 HD13 HD11 ' A' ' 273' ' ' ILE . 0.9 OUTLIER -67.0 -34.34 77.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 202' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 3.6 tptm -68.92 -31.22 69.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.23 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 203' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 0.4 OUTLIER -67.22 -46.77 72.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -48.7 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.775 HD11 ' HA ' ' A' ' 266' ' ' ILE . 17.3 mt -58.73 -55.03 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 36.8 t-20 -57.87 -40.0 79.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 5.5 mm-40 -65.65 -29.46 70.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 208' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 212' ' ' TRP . 0.4 OUTLIER -67.94 -29.35 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.843 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -73.2 -50.21 23.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.16 81.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -65.23 -40.71 94.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 212' ' ' TRP . . . . . 0.491 ' CB ' ' O ' ' A' ' 208' ' ' GLU . 43.6 t-105 -57.66 -59.93 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 108.025 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.1 -33.07 64.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -59.16 -35.33 73.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 110.293 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.69 -1.63 22.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 216' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 212' ' ' TRP . 13.3 t60 -111.34 100.9 49.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.571 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 217' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 218' ' ' VAL . 18.2 Cg_endo -75.04 121.18 6.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.418 1.747 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 0.673 HG13 ' HG2' ' A' ' 230' ' ' GLU . 2.9 t -39.69 130.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 219' ' ' HIS . . . . . 0.693 ' O ' ' HB3' ' A' ' 220' ' ' ALA . 0.4 OUTLIER -127.45 -176.97 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.075 . . . . 0.0 109.591 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 220' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 219' ' ' HIS . . . 83.58 179.59 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -80.41 -142.77 3.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -174.76 2.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.786 HD12 ' O ' ' A' ' 228' ' ' MET . 0.5 OUTLIER -132.99 122.05 45.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -50.33 149.38 5.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 95.12 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 113.58 -5.26 24.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.889 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 1.0 OUTLIER -91.55 -160.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 110.334 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.786 ' O ' HD12 ' A' ' 223' ' ' ILE . 4.8 tpp -52.09 -173.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -153.08 53.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.341 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.673 ' HG2' HG13 ' A' ' 218' ' ' VAL . 0.4 OUTLIER 72.7 152.56 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.839 ' HB3' HG21 ' A' ' 256' ' ' ILE . 18.1 Cg_endo -75.07 71.97 4.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.41 176.77 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.843 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -77.38 -38.87 27.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.558 1.162 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 234' ' ' SER . . . . . 0.646 ' O ' HG22 ' A' ' 239' ' ' THR . 6.3 m -68.3 -47.38 67.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 110.054 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 235' ' ' ASP . . . . . 0.413 ' OD1' ' HB ' ' A' ' 240' ' ' THR . 0.3 OUTLIER -59.76 -42.34 93.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.847 HG12 HG22 ' A' ' 258' ' ' VAL . 27.2 mt -60.62 -27.79 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 237' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -70.9 -21.83 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.38 20.12 30.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 239' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 234' ' ' SER . 14.6 t -90.13 -37.67 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 240' ' ' THR . . . . . 0.413 ' HB ' ' OD1' ' A' ' 235' ' ' ASP . 20.5 m -101.75 -0.96 33.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.571 1.17 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 4.7 t -145.68 152.54 39.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.043 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.589 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -91.37 175.98 6.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.402 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.598 ' CD1' HD13 ' A' ' 247' ' ' ILE . 3.1 tm? -58.44 -59.13 5.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.57 -50.12 43.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.483 ' O ' ' HE1' ' A' ' 228' ' ' MET . 0.4 OUTLIER -61.24 -31.58 71.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 246' ' ' GLN . . . . . 0.848 ' HG3' HG11 ' A' ' 258' ' ' VAL . 1.9 tp60 -69.56 -70.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.832 HD11 HG21 ' A' ' 180' ' ' THR . 0.8 OUTLIER -40.54 -38.66 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.67 -51.42 58.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.673 ' CE3' ' CE ' ' A' ' 228' ' ' MET . 0.7 OUTLIER -61.33 -37.7 84.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 11.3 mtm -61.06 -23.38 65.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.7 p -118.14 22.32 12.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.1 OUTLIER -81.41 172.79 13.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.569 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.439 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 1.8 m-20 -122.41 111.01 31.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -75.07 159.15 98.36 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.97 -2.512 . . . . 0.0 111.0 0.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -74.93 119.83 5.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.79 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 256' ' ' ILE . . . . . 0.839 HG21 ' HB3' ' A' ' 231' ' ' PRO . 7.8 mt -88.94 134.28 33.82 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 256' ' ' ILE . 18.5 Cg_endo -74.97 57.93 4.71 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.848 HG11 ' HG3' ' A' ' 246' ' ' GLN . 2.6 t -62.41 -65.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.06 -33.67 84.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -69.34 -32.33 71.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.688 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 10.1 mt -75.32 -45.32 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 262' ' ' TYR . . . . . 0.549 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.1 t80 -64.19 -47.37 80.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.49 -38.76 72.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 2.5 mtt180 -66.29 -33.17 75.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.688 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 52.0 m0 -61.92 -45.06 95.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.06 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.932 HG21 ' CZ ' ' A' ' 172' ' ' PHE . 87.6 mt -57.16 -46.65 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -28.75 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -57.04 13.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.533 ' C ' HD11 ' A' ' 201' ' ' LEU . . . -62.15 -56.87 19.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.432 1.083 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.909 HD11 HG22 ' A' ' 266' ' ' ILE . 12.1 mt -45.08 -36.62 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -63.03 -42.1 99.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.5 OUTLIER -67.48 -38.9 85.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 1.042 HD11 HD13 ' A' ' 201' ' ' LEU . 34.2 mt -60.67 -45.77 96.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 270' ' ' LEU . 59.8 t -63.71 -46.03 95.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -59.73 -16.4 27.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 7.7 tpt -97.48 -37.89 9.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.05 17.29 12.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.054 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.01 150.11 92.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.17 4.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 67.4 p -60.58 121.31 11.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.385 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.73 164.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -173.9 140.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.25 129.04 6.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.62 171.52 19.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.592 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -157.56 171.67 19.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.53 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -152.18 174.55 13.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.591 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 287' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 288' ' ' HIS . 7.6 p80 -175.8 152.81 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 288' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 287' ' ' HIS . 14.9 m80 -157.47 167.15 31.04 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.632 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.576 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.706 ' N ' ' HG ' ' A' ' 38' ' ' SER . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -177.92 -59.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.36 170.81 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.249 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.0 -164.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 7' ' ' VAL . 4.0 m 77.29 95.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.051 HG11 HG21 ' A' ' 34' ' ' ILE . 22.9 t -154.31 -67.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.617 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.6 mt -103.66 152.11 22.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.16 179.51 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.28 -58.41 14.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.33 -41.14 26.64 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.95 -40.11 83.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 0.712 . . . . 0.0 110.323 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 31' ' ' LEU . 5.2 tp -66.02 -44.12 85.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.07 -33.06 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.95 -45.42 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.665 ' CE3' HD12 ' A' ' 85' ' ' LEU . 33.5 t-105 -56.53 -51.84 67.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -26.59 62.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.42 47.27 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.543 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.9 mm -130.91 134.53 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -91.35 126.9 36.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.655 HD23 ' N ' ' A' ' 21' ' ' LEU . 2.0 mt -66.29 -127.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.5 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 170.56 -54.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.5 Cg_endo -74.93 124.96 9.04 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.446 1.761 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.77 -0.83 61.16 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.447 1.092 . . . . 0.0 111.028 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.87 -109.72 0.6 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.23 60.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 0.782 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -90.76 -161.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' C ' HD21 ' A' ' 21' ' ' LEU . 30.3 pt20 -118.3 163.29 16.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.568 ' N ' HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -86.96 148.62 25.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.32 173.31 11.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.608 HD13 HD11 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -61.77 -26.99 68.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -61.72 -44.08 97.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -35.82 82.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.626 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.051 HG21 HG11 ' A' ' 7' ' ' VAL . 4.6 mt -63.6 -50.1 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.7 -43.98 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -62.77 -39.88 95.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 107.972 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.774 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.12 -53.03 63.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.832 ' HA ' HD12 ' A' ' 41' ' ' LEU . 3.9 t -62.46 -34.89 77.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.928 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -41.2 94.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.07 -34.92 79.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.935 ' O ' HG12 ' A' ' 46' ' ' VAL . 46.8 mt -58.02 -50.01 74.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.22 -41.41 79.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.425 1.078 . . . . 0.0 110.338 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -58.22 -37.57 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.469 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 14.4 t80 -75.99 0.15 19.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 69.82 44.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.935 HG12 ' O ' ' A' ' 41' ' ' LEU . 6.7 p -124.97 150.01 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -64.39 129.78 94.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.73 18.47 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.14 -10.06 58.56 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 26.4 mt -72.9 -38.58 66.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.499 HD11 ' CD2' ' A' ' 85' ' ' LEU . 9.2 tp -69.12 -8.93 49.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.43 -21.79 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -125.66 156.44 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.396 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.402 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 95.0 p -70.03 -29.9 67.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -36.74 72.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.687 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -71.81 -43.43 50.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.586 1.179 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.402 ' SG ' ' HA ' ' A' ' 54' ' ' SER . 13.2 p -67.81 -36.16 79.9 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -60.04 -37.55 80.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -69.94 -30.15 67.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.724 HG12 HD22 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -74.6 -75.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.628 ' N ' HG22 ' A' ' 60' ' ' ILE . 10.5 tp -44.21 -36.2 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.31 -49.19 81.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -97.3 21.1 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 110.224 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.492 HD23 ' CD2' ' A' ' 79' ' ' TYR . 13.5 tp -106.63 -25.63 11.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.609 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 7.7 tm0? -53.25 -45.03 98.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.01 -40.6 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.808 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.43 -11.8 60.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.022 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.943 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.2 mt -70.86 -44.1 67.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -7.33 52.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.808 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.8 t -119.82 -5.64 10.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.682 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -80.71 -98.22 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 24.6 p 167.01 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.746 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -61.06 -40.74 94.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 110.235 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -46.93 59.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.682 HD13 ' CA ' ' A' ' 71' ' ' GLY . 8.1 tt -60.72 -34.49 74.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.53 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.22 -43.85 98.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.174 . . . . 0.0 110.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.57 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 7.4 t -61.54 -30.51 70.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.048 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -66.37 -45.93 78.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.943 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -60.54 -42.3 96.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.1 OUTLIER -57.69 -36.7 72.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.774 HG21 ' HB2' ' A' ' 37' ' ' ALA . 80.8 m -62.96 -48.38 79.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.478 HD13 ' CG2' ' A' ' 60' ' ' ILE . 7.4 mt -66.36 -36.33 77.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.909 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -56.6 -59.95 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.9 t -58.11 -41.52 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.665 HD12 ' CE3' ' A' ' 16' ' ' TRP . 1.5 mp -56.82 -34.98 68.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -62.48 -47.12 85.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -37.34 85.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.4 t -64.28 -41.66 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -55.79 -40.22 72.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.636 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.455 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 1.6 mm-40 -86.8 -18.33 31.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.402 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.3 OUTLIER 78.08 37.42 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.455 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.4 mp -75.83 141.23 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.95 95.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.427 ' CG2' HD11 ' A' ' 19' ' ' ILE . 7.6 m -110.94 173.65 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -147.01 -51.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.23 170.38 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.489 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.3 m -60.39 -45.15 94.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -31.59 69.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.55 -40.59 93.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.821 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.94 -38.53 76.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 1.4 mp -56.68 -46.75 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.5 -41.77 65.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.604 1.19 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -63.32 -62.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.909 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.6 pt -56.22 -28.95 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -56.75 -53.95 51.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.33 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -59.17 -48.75 80.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.02 -50.94 60.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.367 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.22 -54.89 37.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' A' ' 113' ' ' LYS . 9.2 t30 -54.49 -36.18 63.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -61.96 -51.73 66.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.51 -65.57 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.444 ' CG ' ' HA ' ' A' ' 109' ' ' ASN . 0.0 OUTLIER -43.58 -40.77 4.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 13.0 tmtt? -60.19 -59.06 6.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -48.59 -49.62 36.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.45 -55.51 24.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -50.3 -49.73 52.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.502 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -48.68 -47.15 40.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.26 -58.39 6.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -42.04 -32.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -66.82 -57.35 7.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' THR . 3.2 t70 -92.71 33.06 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' ASP . 1.2 m -38.52 105.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.435 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.22 93.42 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.108 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 40.65 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.263 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.6 t30 175.99 163.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 109.233 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.87 119.82 38.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -175.43 164.31 3.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 129' ' ' SER . 7.8 p -174.45 166.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.41 ' N ' HG22 ' A' ' 128' ' ' VAL . 0.4 OUTLIER -179.99 154.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -176.73 162.22 2.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -176.38 159.43 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.53 ' O ' ' CG ' ' A' ' 132' ' ' TYR . 11.4 p90 -170.76 93.58 0.46 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.13 4.7 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.3 tt -158.29 172.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.7 p -166.71 140.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -117.93 171.38 8.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -154.39 167.8 28.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.367 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.5 pp -147.23 150.63 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -149.38 170.53 18.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -109.47 -161.18 19.23 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -139.06 155.54 47.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 0.776 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.86 162.27 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.64 177.4 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.95 142.41 35.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.626 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.2 129.23 34.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.98 -177.57 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.919 HD12 ' OD1' ' A' ' 183' ' ' ASP . 1.3 tt -80.65 135.16 25.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.651 ' O ' HG22 ' A' ' 151' ' ' THR . 0.0 OUTLIER -87.04 167.13 22.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.14 9.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -37.2 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 148' ' ' SER . 1.5 t -67.14 -32.35 73.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.45 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.917 ' O ' HG23 ' A' ' 156' ' ' VAL . 29.1 mt -69.44 -43.48 73.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -67.74 -43.9 78.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -59.14 -48.91 79.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.526 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 51.7 t-105 -61.99 -45.63 92.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 152' ' ' LEU . 24.3 t -47.25 -43.55 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -68.28 -35.95 78.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 154' ' ' ALA . 75.7 t -63.56 -39.87 86.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.978 HG13 ' HB2' ' A' ' 163' ' ' ALA . 93.4 t -59.87 -46.42 93.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -58.36 -33.55 69.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.253 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.78 -44.4 77.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 163' ' ' ALA . 2.7 mttp 172.42 73.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.978 ' HB2' HG13 ' A' ' 159' ' ' VAL . . . -37.69 -49.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 164' ' ' PHE . 11.5 p90 -107.61 127.99 54.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.529 ' N ' ' CG1' ' A' ' 168' ' ' VAL . 0.0 OUTLIER 170.41 166.38 0.2 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -17.73 19.49 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.416 ' C ' ' HD2' ' A' ' 170' ' ' PRO . 73.8 mt-10 -92.06 -17.66 24.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 165' ' ' SER . 13.8 p -97.09 -34.22 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.701 HG13 HG21 ' A' ' 274' ' ' VAL . 0.8 OUTLIER -48.35 -48.45 66.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.02 -35.15 3.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.459 ' SD ' HG11 ' A' ' 158' ' ' VAL . 0.1 OUTLIER -61.97 -31.85 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.725 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 5.7 t80 -72.36 -44.41 62.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -31.53 65.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.48 -45.27 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.507 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -72.14 -9.92 59.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.555 ' OG ' HD21 ' A' ' 184' ' ' LEU . 12.5 t -111.4 14.01 21.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.71 122.02 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.65 56.6 1.62 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.992 ' HB1' ' OD2' ' A' ' 183' ' ' ASP . . . -103.67 -175.6 2.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.948 HG21 HD11 ' A' ' 247' ' ' ILE . 0.7 OUTLIER -113.69 178.39 0.98 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 110.401 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.517 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.0 Cg_endo -75.06 -37.75 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.408 ' CB ' HD23 ' A' ' 243' ' ' LEU . 50.8 tp60 -70.45 -58.47 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.992 ' OD2' ' HB1' ' A' ' 179' ' ' ALA . 0.0 OUTLIER -48.83 -46.2 41.65 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 1.182 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.555 HD21 ' OG ' ' A' ' 176' ' ' SER . 55.1 mt -60.48 -43.42 96.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.222 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -33.04 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.779 ' CG2' HD21 ' A' ' 152' ' ' LEU . 0.4 OUTLIER -66.7 -47.85 71.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.458 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.526 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -62.3 -45.24 94.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.612 HD22 ' CE ' ' A' ' 198' ' ' MET . 13.8 mt -64.49 -22.01 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -75.73 -47.5 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 15.3 t -78.13 -1.01 30.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.444 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.756 HG11 ' HE2' ' A' ' 198' ' ' MET . 0.5 OUTLIER -59.96 -176.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.267 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.687 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -170.76 55.85 0.19 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 193' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -108.46 27.89 12.81 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.431 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 2.0 t-160 83.77 132.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.596 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -59.13 -37.99 78.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.7 -49.17 75.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.395 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.05 -50.0 75.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.756 ' HE2' HG11 ' A' ' 191' ' ' VAL . 0.1 OUTLIER -57.96 -33.33 68.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.6 -54.41 43.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 70.4 mtm -59.74 -46.48 89.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.752 ' HB2' HD11 ' A' ' 273' ' ' ILE . 2.2 tp -59.78 -37.01 77.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -67.36 -38.34 84.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.75 -45.6 78.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.219 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.24 -47.21 77.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.88 HD11 ' HA ' ' A' ' 266' ' ' ILE . 14.9 mt -59.92 -52.94 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -58.27 -41.07 83.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.64 -29.61 70.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 208' ' ' GLU . . . . . 0.575 ' OE1' HD22 ' A' ' 268' ' ' LEU . 0.8 OUTLIER -62.47 -44.81 95.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.677 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -62.73 -49.83 73.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.59 -47.92 75.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -40.19 94.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 212' ' ' TRP . . . . . 0.617 ' CE3' HD11 ' A' ' 215' ' ' LEU . 42.9 t-105 -58.94 -59.41 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 108.06 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -56.32 -33.36 65.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -59.69 -41.91 91.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.617 HD11 ' CE3' ' A' ' 212' ' ' TRP . 2.7 pp -90.01 -0.06 57.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.43 97.35 35.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.595 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 59.26 5.15 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 68.7 t -100.95 82.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -118.03 131.77 56.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.596 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -163.7 165.0 23.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -62.94 -140.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 107.12 2.41 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.557 1.82 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.781 HD11 ' HB3' ' A' ' 227' ' ' GLN . 0.0 OUTLIER -62.61 130.59 27.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.824 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -39.58 152.7 0.2 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 109.43 2.93 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.504 1.792 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 96.35 -23.19 35.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.824 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 0.0 OUTLIER -45.22 -40.04 6.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.582 ' HB3' ' CZ2' ' A' ' 249' ' ' TRP . 2.1 ttp 41.01 50.13 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' A' ' 230' ' ' GLU . 3.6 ptt85 -58.34 -176.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 229' ' ' ARG . 0.4 OUTLIER -32.79 96.68 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.468 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.0 Cg_endo -75.04 147.2 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.769 . . . . 0.0 110.968 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.14 -178.71 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.677 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -56.63 -38.46 81.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 234' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 239' ' ' THR . 0.2 OUTLIER -60.01 -39.11 84.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 110.001 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 235' ' ' ASP . . . . . 0.468 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.5 OUTLIER -65.3 -36.17 83.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.665 HD13 HG21 ' A' ' 261' ' ' ILE . 19.5 mt -60.48 -30.72 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.95 -22.94 62.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.44 21.49 26.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 239' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 234' ' ' SER . 5.7 t -83.97 -38.35 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 110.489 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 37.7 m -105.92 -2.25 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 21.6 t -136.98 136.23 38.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 245' ' ' GLU . 1.6 t -80.67 -177.77 6.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.752 ' CD1' HD13 ' A' ' 247' ' ' ILE . 3.3 tm? -67.07 -59.69 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.61 -45.58 27.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.457 ' HB3' ' CE ' ' A' ' 228' ' ' MET . 4.8 mm-40 -61.67 -37.12 82.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -69.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.948 HD11 HG21 ' A' ' 180' ' ' THR . 1.0 OUTLIER -46.59 -39.43 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -59.99 -51.75 57.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.664 ' CD1' HD13 ' A' ' 256' ' ' ILE . 0.7 OUTLIER -63.52 -31.35 72.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 250' ' ' MET . . . . . 0.5 ' HE1' ' HB ' ' A' ' 180' ' ' THR . 0.2 OUTLIER -67.31 -24.16 65.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 251' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 247' ' ' ILE . 8.6 t -118.16 22.21 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.457 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.434 ' O ' ' CA ' ' A' ' 255' ' ' PRO . 0.3 OUTLIER -99.43 172.39 7.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 109.574 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 1.4 m120 -119.77 115.26 33.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.96 157.87 99.34 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.026 -0.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.434 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.11 123.89 8.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.575 1.829 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 256' ' ' ILE . . . . . 0.664 HD13 ' CD1' ' A' ' 249' ' ' TRP . 3.6 mt -100.25 108.57 53.15 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.81 4.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.558 1.82 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.669 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.5 OUTLIER -61.54 -39.38 82.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.11 86.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -32.09 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 258' ' ' VAL . 17.0 mt -63.3 -45.66 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 262' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 36.2 t80 -64.18 -37.39 87.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.406 ' HE2' ' N ' ' A' ' 264' ' ' ARG . 1.3 ttpt -56.53 -45.5 81.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.406 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 29.6 ttt180 -62.5 -34.32 76.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.541 ' CD1' ' HG2' ' A' ' 208' ' ' GLU . 49.2 m0 -62.09 -47.86 82.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.88 ' HA ' HD11 ' A' ' 205' ' ' ILE . 63.4 mt -57.35 -45.8 85.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -34.2 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 268' ' ' LEU . . . . . 0.575 HD22 ' OE1' ' A' ' 208' ' ' GLU . 0.0 OUTLIER -58.79 -54.56 45.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.729 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.15 -59.31 9.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.44 1.087 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.924 ' O ' HG23 ' A' ' 274' ' ' VAL . 11.6 mt -44.62 -33.14 1.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -63.62 -45.78 88.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 269' ' ' GLY . 3.3 mmtt -69.09 -37.32 78.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 0.752 HD11 ' HB2' ' A' ' 201' ' ' LEU . 41.5 mt -64.64 -40.88 90.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.24 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 270' ' ' LEU . 57.1 t -73.55 -37.54 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 -72.71 -16.33 61.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -91.86 -37.95 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 0.539 ' O ' ' CG ' ' A' ' 277' ' ' TYR . 5.6 t80 -91.98 2.99 56.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 1.4 p -79.08 150.17 74.26 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.29 3.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 7.9 m -151.75 143.55 23.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 26.2 p -49.55 158.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 40.9 mm 63.86 132.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.24 160.67 7.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.26 167.33 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.553 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -149.08 109.18 4.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.589 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -123.2 145.47 48.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.594 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.98 103.14 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.54 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -152.61 154.65 35.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.637 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.655 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.449 ' CB ' ' HG2' ' A' ' 52' ' ' GLU . . . 57.14 66.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.75 . . . . 0.0 109.297 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -67.66 -50.31 58.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.65 -59.07 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -140.64 -179.13 5.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.997 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.952 HG11 HG21 ' A' ' 34' ' ' ILE . 2.5 t -62.64 -48.93 85.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.616 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.3 mt -106.77 154.31 21.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.065 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.12 179.74 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.18 -58.09 16.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.96 -40.57 20.79 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.01 -38.14 78.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.674 HD21 HD21 ' A' ' 31' ' ' LEU . 4.9 tp -69.27 -43.53 73.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -35.29 66.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' HG12 ' A' ' 19' ' ' ILE . 2.8 mptp? -71.65 -45.32 62.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.387 1.055 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.776 ' CE3' HD12 ' A' ' 85' ' ' LEU . 37.1 t-105 -59.03 -64.89 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -47.45 -24.02 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -92.27 49.37 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.558 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.7 mm -130.58 144.48 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -96.5 124.76 40.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.67 HD21 ' N ' ' A' ' 29' ' ' TYR . 2.6 mt -64.94 -126.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.5 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 1.9 mtt180 170.53 -54.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.225 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.5 Cg_endo -74.91 124.87 8.99 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.62 -0.8 61.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.33 -113.01 0.81 Allowed Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.68 62.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.404 0.708 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -160.44 0.74 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.452 ' C ' HD21 ' A' ' 21' ' ' LEU . 4.1 pm0 -120.0 159.99 23.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.239 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.67 ' N ' HD21 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -83.57 153.22 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.32 173.74 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.674 HD21 HD21 ' A' ' 13' ' ' LEU . 2.6 mm? -61.33 -26.79 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -45.69 92.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -63.99 -35.92 82.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.952 HG21 HG11 ' A' ' 7' ' ' VAL . 4.2 mt -63.79 -50.05 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.02 -44.51 62.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 109.364 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -62.56 -39.58 94.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.001 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.603 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.35 -52.88 63.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -34.78 77.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -60.7 -41.14 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.17 -34.88 79.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.971 ' O ' HG12 ' A' ' 46' ' ' VAL . 86.4 mt -59.61 -49.45 77.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 109.237 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -57.13 -37.18 71.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -35.79 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.81 7.79 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.91 46.15 4.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.971 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.4 p -124.96 150.13 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.92 127.58 91.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -18.96 18.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.82 -10.66 59.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.574 HD12 HD11 ' A' ' 60' ' ' ILE . 25.2 mt -74.06 -27.9 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.63 HD12 ' SG ' ' A' ' 57' ' ' CYS . 8.2 tp -81.43 -15.84 53.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.449 ' HG2' ' CB ' ' A' ' 3' ' ' ALA . 41.6 mt-10 -74.48 -22.06 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.3 p -125.87 157.99 36.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.374 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.499 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 9.8 p -70.09 -31.05 68.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -50.0 72.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.563 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -61.66 -37.13 93.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.63 ' SG ' HD12 ' A' ' 51' ' ' LEU . 1.7 m -64.13 -41.22 97.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.04 -42.18 93.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.88 -38.64 91.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.574 HD11 HD12 ' A' ' 50' ' ' LEU . 1.1 mp -72.71 -73.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.403 1.064 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.574 ' N ' HG22 ' A' ' 60' ' ' ILE . 12.4 tp -41.22 -36.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.95 -48.97 83.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' ILE . 12.1 tt0 -97.41 22.12 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.54 HD23 ' CD2' ' A' ' 79' ' ' TYR . 13.5 tp -107.74 -26.85 10.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.613 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -53.65 -44.83 98.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.99 -40.67 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.827 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.24 -11.69 59.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.936 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.4 mt -70.65 -44.33 67.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -7.36 52.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.827 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.5 t -119.43 -5.94 10.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.706 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -80.62 -98.2 0.35 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 24.4 p 167.34 -176.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.403 0.707 . . . . 0.0 109.95 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.43 -40.82 95.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -71.41 -47.06 58.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 110.242 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.706 HD13 ' CA ' ' A' ' 71' ' ' GLY . 7.9 tt -60.8 -34.42 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.519 ' HA ' HD22 ' A' ' 68' ' ' LEU . 19.9 mtt-85 -61.51 -43.79 98.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 7.3 t -61.18 -30.69 70.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.939 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.688 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -66.17 -47.4 74.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.936 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.5 t80 -58.14 -42.81 86.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -59.18 -31.86 69.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.603 HG21 ' HB2' ' A' ' 37' ' ' ALA . 28.8 m -67.01 -48.12 69.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.515 HD13 HG21 ' A' ' 60' ' ' ILE . 8.8 mt -66.39 -37.96 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.937 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -56.04 -58.36 8.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.651 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.8 t -58.51 -42.06 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.776 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -56.82 -35.48 68.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 25.3 t80 -61.89 -51.98 65.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.442 ' SG ' HD13 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -60.23 -37.87 81.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.413 1.071 . . . . 0.0 108.311 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -62.71 -39.96 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.499 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 2.0 m80 -55.85 -40.13 72.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.627 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.442 ' HB2' ' CD1' ' A' ' 92' ' ' ILE . 2.0 mp0 -88.37 -17.77 29.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.098 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 76.6 39.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.273 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.442 HD13 ' SG ' ' A' ' 87' ' ' CYS . 2.3 mp -75.87 141.2 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.02 92.79 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.422 HG23 ' CD1' ' A' ' 19' ' ' ILE . 17.5 m -111.39 173.67 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 15.2 mttt -142.49 -61.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.19 170.26 9.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.522 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.2 m -60.56 -44.73 95.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -32.4 69.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -34.65 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.842 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -70.49 -39.52 74.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.72 -47.25 80.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.6 -40.55 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -64.2 -61.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.937 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.9 pt -56.48 -27.99 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.36 -53.98 52.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -48.99 79.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -51.04 59.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -55.36 -52.82 62.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -52.98 -43.84 66.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -55.58 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.1 t -50.18 -50.96 47.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.639 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 0.6 OUTLIER -51.94 -53.78 37.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -51.55 -54.44 27.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.249 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -36.38 61.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 112' ' ' LYS . . . -58.01 -62.18 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 117' ' ' GLN . 15.5 pt20 -58.35 -29.81 66.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.152 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 38.9 mt-30 -62.94 -57.14 11.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.42 -56.95 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -48.56 -53.21 19.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -48.31 -54.07 15.08 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.18 -61.11 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.6 p -62.04 115.78 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.162 . . . . 0.0 110.391 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -121.16 27.22 6.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 44.9 t30 64.63 92.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 0.774 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 39.4 t30 177.31 153.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.5 p -103.42 78.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 179.83 157.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 128' ' ' VAL . 11.3 p -174.0 118.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.6 p 179.35 79.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.53 78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -179.82 148.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -172.08 93.46 0.4 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 148.04 34.73 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.49 ' O ' ' C ' ' A' ' 135' ' ' VAL . 3.3 pt -146.23 64.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.639 ' O ' HG23 ' A' ' 135' ' ' VAL . 30.6 m 33.07 87.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -178.87 136.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -136.94 167.81 20.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.5 mt 67.87 90.76 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -170.7 98.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 68.61 97.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -174.86 108.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.23 96.81 3.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.6 t -137.89 146.36 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.41 ' HB2' HG21 ' A' ' 247' ' ' ILE . 3.5 t-80 -78.41 142.55 37.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.12 148.05 28.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.62 179.75 4.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.567 HG12 HG21 ' A' ' 151' ' ' THR . 1.5 tt -90.32 143.31 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.86 160.48 52.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.417 ' HA ' HD12 ' A' ' 152' ' ' LEU . 18.2 Cg_endo -74.99 -23.16 14.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -64.39 -40.97 96.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.567 HG21 HG12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -67.39 -32.42 73.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.352 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.884 ' O ' HG23 ' A' ' 156' ' ' VAL . 16.8 mt -72.19 -42.49 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.0 -30.9 69.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.81 -49.62 72.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.521 ' O ' HG23 ' A' ' 159' ' ' VAL . 13.1 t90 -67.5 -48.4 67.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 107.954 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 152' ' ' LEU . 43.9 t -44.46 -43.36 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -63.9 -40.02 95.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 155' ' ' TRP . 5.9 t -63.72 -44.89 98.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.591 HG11 ' N ' ' A' ' 192' ' ' GLY . 23.7 t -55.06 -29.57 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -77.78 -33.8 52.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.77 -78.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 26.9 mmtt -69.84 -71.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.89 -48.27 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.64 ' CE2' ' HB1' ' A' ' 163' ' ' ALA . 0.7 OUTLIER -159.33 129.94 5.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.041 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.535 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER 177.46 170.82 0.42 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.012 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -18.59 18.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -94.76 0.93 55.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -103.6 -34.6 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.4 mm -55.5 -44.91 99.89 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.02 -35.49 3.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.11 -39.8 93.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.409 1.068 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.712 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 32.9 t80 -61.17 -44.28 97.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -34.42 76.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.69 91.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.566 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -76.78 -14.1 59.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.64 ' OG ' HD21 ' A' ' 184' ' ' LEU . 17.8 t -107.63 13.74 26.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -40.3 104.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 41.93 71.23 0.38 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.1 -176.32 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.235 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.902 HG21 HD11 ' A' ' 247' ' ' ILE . 0.7 OUTLIER -112.51 -172.06 0.22 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.595 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.03 -41.83 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.449 1.763 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -65.25 -63.47 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.491 ' OD2' HD12 ' A' ' 147' ' ' ILE . 0.0 OUTLIER -47.6 -47.51 28.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.64 HD21 ' OG ' ' A' ' 176' ' ' SER . 54.9 mt -60.75 -41.61 95.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.229 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -42.41 72.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.722 ' CG2' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -71.25 -35.72 71.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.409 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.506 ' HE2' ' CE1' ' A' ' 172' ' ' PHE . 0.7 OUTLIER -61.43 -45.49 94.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.477 HD11 HG21 ' A' ' 266' ' ' ILE . 1.0 OUTLIER -80.2 -10.8 59.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -83.58 -23.93 31.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.386 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.617 ' O ' HG22 ' A' ' 156' ' ' VAL . 4.9 t -97.21 -18.94 18.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.863 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.6 OUTLIER -51.12 -178.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.591 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -165.89 56.48 0.25 Allowed Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.547 1.155 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 193' ' ' GLY . . . . . 0.563 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -105.4 26.45 21.59 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 0.3 OUTLIER 81.61 139.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 0.73 . . . . 0.0 109.544 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -64.13 -38.09 89.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -58.03 -49.48 76.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.418 1.074 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.31 -49.04 79.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.231 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.863 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.07 -37.5 74.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -57.83 -54.58 45.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -60.02 -29.15 68.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 1.008 HD13 HD11 ' A' ' 273' ' ' ILE . 0.8 OUTLIER -65.55 -36.68 84.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.239 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 202' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 0.0 OUTLIER -68.74 -30.26 68.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 203' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 11.0 tt0 -67.17 -47.05 72.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.78 -48.88 34.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.471 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.882 HD11 ' HA ' ' A' ' 266' ' ' ILE . 19.9 mt -58.74 -55.52 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 24.1 t-20 -58.4 -37.94 76.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.414 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 1.0 OUTLIER -65.73 -29.73 70.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 208' ' ' GLU . . . . . 0.462 ' HB3' ' CE2' ' A' ' 265' ' ' TRP . 0.0 OUTLIER -67.35 -34.46 77.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.608 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -69.3 -50.05 50.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.01 75.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.46 -36.27 82.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.23 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -58.99 -62.54 1.81 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.573 1.171 . . . . 0.0 107.99 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.17 -33.53 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -38.52 83.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.579 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.8 pp -94.58 0.32 55.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 98.14 38.17 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.588 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 93.62 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 68.6 t -40.41 117.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.379 1.05 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -114.45 98.35 6.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.599 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -78.9 75.14 5.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -92.74 -142.5 11.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.49 8.64 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 1.012 HG21 ' HG2' ' A' ' 229' ' ' ARG . 20.6 tt -170.68 166.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.543 ' HB3' ' CG ' ' A' ' 227' ' ' GLN . . . -65.9 156.24 84.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 98.82 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.543 1.812 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 108.64 -12.01 35.59 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.461 1.101 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.543 ' CG ' ' HB3' ' A' ' 224' ' ' ALA . 0.0 OUTLIER -49.91 153.29 1.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 110.331 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.564 ' HB3' ' CZ2' ' A' ' 249' ' ' TRP . 17.9 ttp -72.56 66.93 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 1.012 ' HG2' HG21 ' A' ' 223' ' ' ILE . 62.5 mtm180 -49.07 178.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.322 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 229' ' ' ARG . 0.7 OUTLIER -38.04 100.91 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.438 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.5 Cg_endo -74.94 148.96 36.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.85 172.39 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.608 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -48.64 -38.28 21.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.393 1.058 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 234' ' ' SER . . . . . 0.432 ' O ' HG22 ' A' ' 239' ' ' THR . 72.6 m -62.46 -46.83 86.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 235' ' ' ASP . . . . . 0.72 ' HA ' HG22 ' A' ' 240' ' ' THR . 0.9 OUTLIER -59.9 -35.35 74.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.67 ' HA ' HG22 ' A' ' 258' ' ' VAL . 46.8 mt -60.16 -34.56 57.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.6 -6.42 40.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 238' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 181' ' ' PRO . . . 65.52 26.2 71.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 239' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 234' ' ' SER . 14.7 t -90.49 -37.6 13.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 110.341 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 240' ' ' THR . . . . . 0.72 HG22 ' HA ' ' A' ' 235' ' ' ASP . 11.5 t -104.67 -1.18 26.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 80.8 p -125.82 133.81 51.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.79 159.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.533 ' C ' HD13 ' A' ' 243' ' ' LEU . 1.3 tm? -70.14 -38.21 75.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.52 -34.66 67.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.083 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -40.28 94.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -66.02 -59.16 4.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.902 HD11 HG21 ' A' ' 180' ' ' THR . 0.7 OUTLIER -47.7 -39.88 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.94 -47.78 89.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.564 ' CZ2' ' HB3' ' A' ' 228' ' ' MET . 0.6 OUTLIER -65.32 -32.01 73.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 14.8 mtm -65.6 -26.47 67.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 11.4 t -118.14 22.11 12.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.423 ' O ' ' CA ' ' A' ' 255' ' ' PRO . 37.9 t-80 -90.24 173.73 7.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.501 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 31.3 m120 -122.04 112.59 31.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.95 158.8 98.76 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.988 0.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.423 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.09 119.87 5.8 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 256' ' ' ILE . . . . . 0.441 HD13 ' CD1' ' A' ' 249' ' ' TRP . 4.5 mt -92.86 114.84 63.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.462 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.4 Cg_endo -74.97 55.81 4.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 236' ' ' ILE . 0.3 OUTLIER -61.9 -48.91 86.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 259' ' ' GLY . . . . . 0.489 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -61.38 -41.6 99.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.571 1.169 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -32.31 73.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.247 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' ' 257' ' ' PRO . 17.9 mt -69.68 -43.45 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -66.86 -48.62 68.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.707 ' HA ' HD12 ' A' ' 266' ' ' ILE . 0.0 OUTLIER -56.44 -36.16 68.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -64.93 -33.99 77.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.288 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.462 ' CE2' ' HB3' ' A' ' 208' ' ' GLU . 53.9 m0 -61.96 -44.08 97.49 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.89 HG22 HD11 ' A' ' 270' ' ' LEU . 26.5 mt -57.39 -45.39 85.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -31.69 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -56.22 24.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.515 ' C ' HD11 ' A' ' 201' ' ' LEU . . . -62.3 -57.47 16.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.571 1.17 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.89 HD11 HG22 ' A' ' 266' ' ' ILE . 11.7 mt -45.51 -35.81 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -63.47 -41.02 98.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.4 OUTLIER -68.77 -39.18 80.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 1.008 HD11 HD13 ' A' ' 201' ' ' LEU . 32.1 mt -59.45 -45.93 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 270' ' ' LEU . 94.2 t -64.77 -46.06 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -16.32 13.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.69 -37.92 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -95.31 18.16 13.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.98 150.16 92.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -54.87 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 13.3 t -132.73 134.3 44.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.443 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 60.9 p -154.4 122.15 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.22 120.58 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.22 136.8 2.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -124.45 121.82 35.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.642 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -68.16 132.94 48.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.573 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -84.81 -61.94 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.609 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 64.7 83.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -91.29 149.62 21.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.147 . . . . 0.0 109.615 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 36.6 m80 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.625 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.71 66.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.4 -56.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.43 65.8 0.08 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.596 1.185 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.8 p 177.63 96.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.101 HG11 HG21 ' A' ' 34' ' ' ILE . 35.6 t -153.55 -66.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.613 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.0 mt -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.48 179.56 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.79 -58.19 15.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.54 -40.57 27.12 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.85 -42.63 89.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.681 HD11 HD13 ' A' ' 31' ' ' LEU . 7.6 tp -64.5 -43.64 93.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -56.04 -32.03 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -45.03 33.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.95 ' CE3' HD12 ' A' ' 85' ' ' LEU . 23.5 t-105 -57.03 -61.74 2.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.96 -21.07 42.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.506 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 6.5 tttt -88.49 43.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.96 HD13 ' CG1' ' A' ' 84' ' ' VAL . 40.2 mt -139.0 127.01 27.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.623 ' C ' HD23 ' A' ' 21' ' ' LEU . 5.9 ttt-85 -89.52 151.14 22.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.636 HD21 ' N ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -127.5 -163.57 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.576 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 1.2 mtt85 -178.34 -58.47 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.576 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.94 123.48 7.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.536 1.808 . . . . 0.0 111.051 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.47 4.76 46.7 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . -132.48 -81.06 0.19 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 84.6 42.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.786 . . . . 0.0 109.341 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.18 -132.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' O ' HD11 ' A' ' 21' ' ' LEU . 3.2 mt-30 -127.82 172.93 10.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -92.08 142.54 27.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.21 173.98 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.681 HD13 HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -60.8 -28.86 69.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -62.05 -44.03 97.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.378 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -36.95 85.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.597 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.101 HG21 HG11 ' A' ' 7' ' ' VAL . 4.6 mt -62.71 -50.81 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.417 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.25 -44.6 65.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -62.39 -39.91 94.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.46 -50.4 74.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 41' ' ' LEU . 9.4 p -58.11 -34.86 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.61 -40.84 93.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.359 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.68 -34.68 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 110.306 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.959 ' O ' HG12 ' A' ' 46' ' ' VAL . 95.9 mt -57.77 -50.02 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.41 -41.52 85.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -36.75 75.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.555 ' HZ ' ' HG ' ' A' ' 67' ' ' SER . 24.1 t80 -76.12 0.46 18.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 69.89 44.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.959 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.1 p -124.99 149.95 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.89 132.68 94.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -18.85 18.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.35 -11.55 56.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 27.8 mt -71.17 -39.08 72.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.638 HD11 HD22 ' A' ' 85' ' ' LEU . 8.8 tp -70.43 -7.6 44.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -21.8 31.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.7 p -125.61 156.1 39.71 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.414 1.071 . . . . 0.0 110.391 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.451 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 87.9 p -66.55 -33.08 74.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 3.2 mt-10 -66.32 -36.51 83.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.6 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -73.84 -35.98 53.54 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.421 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -64.55 -44.88 89.38 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.484 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 9.6 ptt180 -68.27 -31.73 71.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -45.22 94.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.847 HG12 HD22 ' A' ' 41' ' ' LEU . 1.8 mp -67.6 -69.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.622 HD11 ' CE1' ' A' ' 79' ' ' TYR . 11.7 tp -40.54 -34.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.63 -48.87 78.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.2 OUTLIER -96.76 22.56 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 110.356 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.553 HD23 ' CD2' ' A' ' 79' ' ' TYR . 18.0 tp -110.32 -27.01 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.611 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 tm0? -53.08 -45.14 98.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.93 -39.92 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.827 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.36 -12.63 61.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.972 HD11 ' CG ' ' A' ' 79' ' ' TYR . 7.4 mt -71.09 -43.82 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.492 ' NE2' ' HA ' ' A' ' 66' ' ' PRO . 1.9 pt20 -74.57 -6.4 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.827 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.86 -4.47 9.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.551 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -82.83 -101.05 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 14.8 p 169.11 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 110.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -41.52 86.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -45.7 62.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.551 HD13 ' HA2' ' A' ' 71' ' ' GLY . 5.9 tt -59.7 -34.05 72.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.518 ' HA ' HD22 ' A' ' 68' ' ' LEU . 32.9 ttt180 -61.11 -48.59 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.29 -36.43 66.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.638 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -60.18 -47.4 86.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.972 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.4 t80 -63.52 -43.28 97.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.67 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.3 t-20 -55.96 -33.12 64.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.791 HG23 ' CH2' ' A' ' 16' ' ' TRP . 3.2 m -70.58 -44.88 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.473 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.498 HG22 ' HB2' ' A' ' 61' ' ' LEU . 11.6 mt -65.56 -36.11 76.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.936 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -60.61 -54.92 39.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.96 ' CG1' HD13 ' A' ' 19' ' ' ILE . 21.1 t -58.74 -45.48 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.23 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.95 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -55.72 -45.71 77.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 58' ' ' ARG . 39.3 t80 -60.42 -37.08 79.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.551 ' HA ' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -68.37 -33.24 73.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.35 1.031 . . . . 0.0 108.321 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 84' ' ' VAL . 55.9 t -66.21 -32.82 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.451 ' CD2' ' HA ' ' A' ' 54' ' ' SER . 3.3 m-70 -67.97 -40.53 83.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.626 ' CB ' HD11 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -85.31 -14.07 47.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.7 mtt85 64.49 46.89 3.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.6 mp -83.62 141.5 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.43 105.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.472 HG11 ' SG ' ' A' ' 87' ' ' CYS . 23.7 m -134.47 173.0 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -144.42 -52.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 3.3 p-10 -113.54 170.64 8.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.67 HG22 ' CG ' ' A' ' 80' ' ' ASN . 25.2 m -60.58 -44.58 96.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.444 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -62.54 -31.58 72.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.419 ' HA ' ' OE1' ' A' ' 99' ' ' GLU . 7.0 tp10 -63.15 -36.8 84.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.871 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.12 -36.87 77.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.626 HD13 ' OD1' ' A' ' 80' ' ' ASN . 1.3 mp -55.78 -48.03 76.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.66 -43.46 63.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -61.04 2.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.936 HD13 ' HB1' ' A' ' 83' ' ' ALA . 2.8 pt -56.03 -27.81 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -56.92 -54.18 49.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.236 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -48.37 82.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -50.81 60.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -55.13 -52.74 62.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -53.05 -43.71 66.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -56.1 26.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.83 -50.6 44.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.569 1.168 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -52.1 -54.32 31.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.601 1.188 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -53.74 33.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.33 -50.74 38.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.598 1.186 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.6 -55.64 24.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -49.28 -48.64 45.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -52.79 -53.1 53.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.38 -59.56 4.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.56 -56.26 2.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.25 -54.49 20.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.78 -60.73 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.359 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.7 p -65.65 151.31 46.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -112.07 58.79 0.39 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -43.81 104.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 174.56 167.84 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.12 128.18 45.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -177.74 138.12 0.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.243 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.26 165.89 30.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.81 150.91 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.075 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 179.15 151.83 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 58.3 t30 177.62 153.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -174.45 92.95 0.31 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -179.16 4.73 Favored 'Trans proline' 0 C--N 1.362 1.247 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.9 pt -147.2 168.15 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.236 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.3 m -135.97 164.95 30.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 159.08 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.1 p30 175.92 162.14 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -173.83 162.14 3.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -175.94 171.42 2.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 153.4 155.35 7.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -175.39 171.36 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.727 . . . . 0.0 110.305 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.87 164.36 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.446 HG22 ' H ' ' A' ' 144' ' ' HIS . 8.5 p -171.58 168.7 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.557 ' CG ' HG23 ' A' ' 247' ' ' ILE . 2.8 m80 -86.1 142.93 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.622 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -81.69 148.49 28.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.94 179.32 4.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.553 HG12 HG21 ' A' ' 151' ' ' THR . 1.4 tt -85.82 143.1 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.385 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.14 160.17 52.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.993 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -21.97 15.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -65.92 -37.82 87.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.553 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -66.42 -38.54 87.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.401 1.063 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.971 ' O ' HG23 ' A' ' 156' ' ' VAL . 20.2 mt -59.87 -42.38 93.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -66.92 -42.25 85.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -58.73 -49.13 78.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.6 ' CE2' ' CG2' ' A' ' 159' ' ' VAL . 29.3 t-105 -61.96 -46.85 87.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 108.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.971 HG23 ' O ' ' A' ' 152' ' ' LEU . 46.2 t -45.35 -42.44 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -68.2 -36.4 79.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 155' ' ' TRP . 79.6 t -63.33 -45.38 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.612 HG13 ' HB2' ' A' ' 163' ' ' ALA . 68.9 t -61.94 -46.89 95.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -16.34 63.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -81.31 -52.33 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.657 ' O ' HG21 ' A' ' 168' ' ' VAL . 3.8 mttt -165.22 59.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.709 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -40.57 -45.79 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.473 ' O ' ' CD2' ' A' ' 164' ' ' PHE . 11.9 p90 -110.63 104.53 13.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.631 ' O ' HG12 ' A' ' 168' ' ' VAL . 49.2 p -179.29 163.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' PRO . . . . . 0.478 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.2 Cg_endo -75.07 -16.75 19.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -95.06 4.8 53.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.709 HG11 ' O ' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -111.31 -32.48 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.641 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 15.3 mm -57.03 -43.86 99.54 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.1 -35.21 3.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -46.0 91.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.477 ' HB2' ' CH2' ' A' ' 155' ' ' TRP . 78.6 t80 -62.08 -44.38 96.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 51.8 p -60.84 -34.53 74.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.44 92.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.225 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.567 ' HB3' ' HE1' ' A' ' 187' ' ' MET . 0.1 OUTLIER -74.43 -10.51 59.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.912 ' HB2' HD21 ' A' ' 184' ' ' LEU . 15.3 p -98.56 14.18 29.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.951 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.02 104.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.37 66.28 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -104.01 -174.3 2.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.341 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.913 HG21 HD11 ' A' ' 247' ' ' ILE . 0.6 OUTLIER -113.51 -172.22 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.661 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.4 Cg_endo -74.99 -39.26 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -68.32 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.503 ' OD2' HD12 ' A' ' 147' ' ' ILE . 0.0 OUTLIER -45.1 -46.35 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.912 HD21 ' HB2' ' A' ' 176' ' ' SER . 41.9 mt -62.75 -45.9 90.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -55.24 -36.1 65.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.858 HG22 HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -61.46 -47.15 87.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.346 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.567 ' HE1' ' HB3' ' A' ' 175' ' ' LEU . 1.5 ttp -63.9 -45.64 88.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.488 HD11 HG12 ' A' ' 266' ' ' ILE . 13.0 mt -64.79 -25.47 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -70.67 -48.53 54.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.427 ' CG2' HD22 ' A' ' 152' ' ' LEU . 2.5 t -76.86 -3.16 37.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.456 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.542 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -52.41 -175.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.504 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -168.24 59.45 0.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.4 1.062 . . . . 0.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 193' ' ' GLY . . . . . 0.635 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -116.97 33.14 5.18 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.3 t60 78.78 136.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.603 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -59.93 -38.05 81.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.3 76.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.22 -49.71 76.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.238 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.542 ' CE ' HG11 ' A' ' 191' ' ' VAL . 1.3 mmt -57.91 -33.74 69.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -68.63 -54.58 15.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 10.5 tmm? -59.04 -36.6 75.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.632 HD13 ' HA3' ' A' ' 269' ' ' GLY . 28.6 tp -61.36 -34.93 76.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -67.58 -32.54 73.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.05 -46.38 74.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -48.91 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.365 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.646 HD11 ' HA ' ' A' ' 266' ' ' ILE . 10.1 mt -58.87 -54.93 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -57.96 -37.12 73.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -67.05 -29.6 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.74 -43.72 83.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.6 ' HB1' ' HA3' ' A' ' 233' ' ' GLY . . . -60.39 -50.1 74.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.02 75.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -34.33 76.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 212' ' ' TRP . . . . . 0.556 ' CE3' HD11 ' A' ' 215' ' ' LEU . 57.3 t-105 -57.61 -56.13 25.86 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.29 -33.54 65.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.158 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -37.86 85.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.235 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.589 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.9 pp -97.62 -0.54 45.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 216' ' ' HIS . . . . . 0.497 ' CD2' HG13 ' A' ' 218' ' ' VAL . 2.3 t-160 -111.73 96.36 32.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.85 4.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 218' ' ' VAL . 32.9 m -69.39 110.14 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -140.65 116.53 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.645 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 220' ' ' ALA . . . . . 0.603 ' HB3' ' CZ ' ' A' ' 229' ' ' ARG . . . -154.75 175.76 13.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -78.75 -142.6 2.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.615 1.197 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 116.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 227' ' ' GLN . 0.2 OUTLIER -56.71 118.64 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -40.43 156.23 0.18 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 106.59 2.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.554 1.818 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 101.44 -21.29 43.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.889 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 0.0 OUTLIER -65.93 171.11 4.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.254 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.635 ' HE2' ' CD2' ' A' ' 249' ' ' TRP . 30.1 ttp -143.8 63.31 1.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 0.603 ' CZ ' ' HB3' ' A' ' 220' ' ' ALA . 0.8 OUTLIER -52.26 -178.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 229' ' ' ARG . 81.0 mm-40 -36.0 96.99 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 229' ' ' ARG . 18.0 Cg_endo -75.01 149.38 36.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -85.97 177.76 7.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.6 ' HA3' ' HB1' ' A' ' 209' ' ' ALA . . . -55.44 -38.27 69.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 1.5 m -64.87 -40.52 95.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 0.743 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -41.77 90.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.946 HG12 HG22 ' A' ' 258' ' ' VAL . 14.5 mt -60.61 -31.06 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.98 -8.14 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.24 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 74.46 24.37 73.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.592 1.182 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.46 -38.33 13.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 240' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 240' ' ' THR . 11.0 m -104.46 -0.07 28.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 241' ' ' SER . . . . . 0.46 ' HG ' ' HB3' ' A' ' 245' ' ' GLU . 1.2 t -138.44 143.24 39.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.417 HG22 ' HB2' ' A' ' 245' ' ' GLU . 0.6 OUTLIER -72.21 175.03 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.702 HD13 HG12 ' A' ' 247' ' ' ILE . 3.0 tm? -67.07 -59.98 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -50.11 -25.13 3.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.46 ' HB3' ' HG ' ' A' ' 241' ' ' SER . 3.2 mt-10 -69.89 -49.33 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 246' ' ' GLN . . . . . 0.574 ' HB3' HG11 ' A' ' 258' ' ' VAL . 2.7 mm-40 -70.09 -36.75 75.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.913 HD11 HG21 ' A' ' 180' ' ' THR . 28.5 mm -52.8 -56.73 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.59 -47.71 89.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.635 ' CD2' ' HE2' ' A' ' 228' ' ' MET . 0.5 OUTLIER -56.32 -31.3 63.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 5.2 ttm -66.22 -39.89 89.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 251' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 251' ' ' THR . 30.6 m -110.6 22.95 14.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.168 . . . . 0.0 110.382 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 255' ' ' PRO . 54.6 t-80 -78.05 169.95 17.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.641 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.448 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 0.9 OUTLIER -121.95 110.63 32.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.1 Cg_endo -75.0 159.84 97.43 Favored 'Cis proline' 0 C--N 1.361 1.226 0 C-N-CA 120.97 -2.512 . . . . 0.0 110.949 0.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -75.04 123.98 8.26 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 5.7 mt -93.06 130.16 37.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.48 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.2 Cg_endo -74.93 54.86 3.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.546 1.814 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.946 HG22 HG12 ' A' ' 236' ' ' ILE . 1.4 t -62.27 -59.74 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 259' ' ' GLY . . . . . 0.452 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.77 -38.17 95.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.091 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -35.3 75.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 236' ' ' ILE . 13.6 mt -63.78 -45.87 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 262' ' ' TYR . . . . . 0.661 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 19.8 t80 -69.08 -44.54 72.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.28 -42.54 77.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.444 ' NH2' HG21 ' A' ' 267' ' ' ILE . 0.0 OUTLIER -62.4 -33.66 75.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -63.02 -48.23 79.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.965 HG22 ' CD1' ' A' ' 270' ' ' LEU . 54.6 mt -58.0 -48.41 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.444 HG21 ' NH2' ' A' ' 264' ' ' ARG . 0.4 OUTLIER -60.53 -32.62 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -57.87 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.632 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -63.61 -58.75 10.2 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.965 ' CD1' HG22 ' A' ' 266' ' ' ILE . 14.3 mt -43.84 -35.89 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -46.57 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 269' ' ' GLY . 2.3 mptm? -66.25 -37.38 85.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 270' ' ' LEU . 31.2 mt -63.61 -43.48 98.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 270' ' ' LEU . 80.2 t -61.76 -46.18 97.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -64.48 -16.4 62.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.78 -38.06 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.83 15.4 23.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.07 152.32 55.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 89.67 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.398 1.736 . . . . 0.0 111.047 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 22.8 m 61.61 118.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 84.7 p -141.12 134.58 29.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.076 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 1.6 pp -94.4 131.75 40.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.58 154.13 23.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -168.31 173.79 7.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.627 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 68.99 150.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.65 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -154.57 172.69 17.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.616 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -142.38 165.98 25.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.629 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -134.55 171.85 13.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.653 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 33.9 p80 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.576 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.04 101.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 176.03 -56.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.03 -61.09 2.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -141.13 -179.13 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.016 HG11 HG21 ' A' ' 34' ' ' ILE . 2.9 t -62.89 -49.56 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.557 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.2 mt -108.22 156.77 18.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.237 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -88.26 179.82 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.941 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.4 -57.55 19.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.423 1.077 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.88 -40.74 24.97 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.8 -40.66 84.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.559 HD11 HD13 ' A' ' 31' ' ' LEU . 21.2 tp -67.54 -39.78 85.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 92.1 m-20 -56.07 -31.9 63.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -76.96 -44.7 30.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.799 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 67.0 t-105 -55.98 -60.58 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 107.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.86 -22.54 59.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -91.43 39.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.833 HD13 HG13 ' A' ' 84' ' ' VAL . 54.7 mt -141.58 139.62 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.403 ' C ' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -108.64 154.61 21.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.253 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.628 HD21 ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -112.92 -159.6 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.579 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -178.66 -58.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.579 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.02 123.27 7.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.773 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.36 5.73 30.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . -130.9 -87.69 0.44 Allowed Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER 87.81 37.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.45 -138.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -120.51 177.1 5.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.799 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -98.23 141.79 30.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.07 . . . . 0.0 110.938 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -142.39 168.18 20.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.559 HD13 HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -61.05 -28.1 68.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -61.76 -45.12 95.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -63.05 -36.06 82.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.589 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.016 HG21 HG11 ' A' ' 7' ' ' VAL . 4.4 mt -63.52 -50.12 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.366 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.31 -44.59 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 43.0 t90 -62.79 -39.75 95.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 108.009 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.616 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -58.95 -52.97 63.48 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -34.93 77.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -41.13 94.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.493 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 2.9 tt0 -65.25 -34.98 79.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.925 ' O ' HG12 ' A' ' 46' ' ' VAL . 95.9 mt -62.55 -45.78 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.18 -41.21 78.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -25.35 65.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 3.3 m-85 -83.66 10.45 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 60.4 38.18 19.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.925 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.9 p -125.04 150.08 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -64.48 132.13 95.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -18.91 18.4 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.83 -9.73 59.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.517 HD12 HD11 ' A' ' 60' ' ' ILE . 20.6 mt -70.68 -36.14 73.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.345 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 8.8 tp -75.29 -18.77 59.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -22.02 59.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.2 p -125.89 154.27 42.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.447 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 1.4 p -68.53 -30.31 69.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.074 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.0 -48.77 78.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.602 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -63.43 -34.88 91.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.7 m -63.9 -40.85 97.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -59.98 -37.8 80.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -36.89 75.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.602 HD12 ' O ' ' A' ' 56' ' ' GLY . 1.2 mp -74.57 -75.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.626 HD21 HD12 ' A' ' 104' ' ' ILE . 9.2 tp -44.13 -35.06 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.86 -49.0 83.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.39 22.79 10.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.313 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.483 HD23 ' CD2' ' A' ' 79' ' ' TYR . 12.5 tp -107.79 -26.99 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.23 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.612 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 6.1 tm0? -52.85 -45.29 97.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.241 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -75.03 -40.35 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.536 1.809 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.823 ' HA ' HG22 ' A' ' 70' ' ' THR . 63.1 m -68.47 -11.79 60.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.941 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.4 mt -70.98 -44.19 66.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -74.35 -7.12 51.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.823 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.72 -5.55 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.915 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.48 -98.94 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 20.9 p 167.43 -175.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 0.74 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -61.21 -40.95 95.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -47.07 57.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.388 1.055 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.915 HD13 ' CA ' ' A' ' 71' ' ' GLY . 6.0 tt -60.64 -34.32 74.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.548 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.57 -42.79 99.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.47 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 38.5 t -62.18 -30.46 71.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -66.19 -42.54 88.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.608 1.193 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.941 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.6 t80 -64.59 -43.26 94.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.826 HD22 HG21 ' A' ' 97' ' ' THR . 0.3 OUTLIER -59.11 -26.43 64.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.616 HG21 ' HB2' ' A' ' 37' ' ' ALA . 47.9 m -71.75 -48.46 46.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.442 HG22 ' HB2' ' A' ' 61' ' ' LEU . 3.3 mt -69.24 -33.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.804 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -56.97 -60.82 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.833 HG13 HD13 ' A' ' 19' ' ' ILE . 2.7 t -58.1 -41.31 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.587 ' CD1' ' CE3' ' A' ' 16' ' ' TRP . 1.1 mp -56.62 -38.45 72.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -59.86 -48.35 82.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.8 OUTLIER -63.96 -40.0 95.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.46 HG22 ' HB3' ' A' ' 15' ' ' LYS . 17.3 t -60.86 -39.85 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.447 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 1.3 m80 -57.26 -40.2 77.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.601 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.449 ' HB2' ' CD1' ' A' ' 92' ' ' ILE . 0.4 OUTLIER -91.06 -9.79 44.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.9 OUTLIER 65.92 43.39 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 90' ' ' GLN . 2.1 mp -75.92 140.92 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -63.28 89.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.3 m -116.71 173.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -143.91 -47.24 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.441 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -128.33 170.21 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.826 HG21 HD22 ' A' ' 80' ' ' ASN . 5.7 m -59.87 -44.69 94.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 6.0 tmtm? -54.61 -32.15 58.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.382 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.403 ' HA ' ' OE1' ' A' ' 99' ' ' GLU . 6.6 tp10 -68.95 -40.36 78.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.8 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -70.62 -39.29 73.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 2.7 mp -56.02 -46.73 78.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -72.28 -44.68 62.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.58 -62.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.804 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pt -55.74 -28.26 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 3.3 tt0 -66.74 -53.82 29.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.2 -51.94 65.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.14 -53.56 54.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -54.96 -52.75 62.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.97 -43.86 66.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -55.8 30.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.406 1.066 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -50.73 45.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.943 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -52.18 -54.25 33.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -51.21 -53.83 31.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -50.71 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.46 -54.49 36.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -50.13 -50.12 49.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -54.4 -54.82 35.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.99 -41.92 65.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.7 90.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.59 7.49 19.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.51 ' HA ' ' ND2' ' A' ' 125' ' ' ASN . 13.1 t0 -95.46 -42.5 8.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 121' ' ' ASP . 50.0 p -38.42 104.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 103.12 73.67 0.98 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.61 162.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.51 ' ND2' ' HA ' ' A' ' 121' ' ' ASP . 0.3 OUTLIER 172.46 156.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.17 170.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 110.024 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.44 171.47 19.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.245 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.448 HG22 ' H ' ' A' ' 129' ' ' SER . 8.7 p -163.38 168.32 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 128' ' ' VAL . 2.8 m -169.2 170.47 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.091 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -167.71 171.16 10.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -172.55 167.8 5.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.53 93.18 48.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 171.8 17.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.541 1.811 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 24.2 pt 40.42 59.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.16 158.76 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.05 169.63 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -156.09 167.8 29.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.4 pp -141.59 176.81 8.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -168.81 171.37 8.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -134.15 -165.02 10.83 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -170.81 171.37 6.11 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 0.797 . . . . 0.0 110.342 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 2.3 mmm -81.73 99.21 8.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 35.3 m -136.55 174.94 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.246 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.437 ' HB2' ' CG2' ' A' ' 247' ' ' ILE . 0.6 OUTLIER -105.28 142.52 34.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.19 147.99 28.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.231 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.76 -175.8 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.746 HD12 ' OD1' ' A' ' 183' ' ' ASP . 1.2 tt -79.97 143.26 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.165 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.07 160.55 51.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 109.962 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -22.9 14.45 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.441 1.759 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -37.47 86.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.597 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -68.67 -38.66 80.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.448 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.96 ' O ' HG23 ' A' ' 156' ' ' VAL . 21.6 mt -61.72 -41.59 97.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.59 -37.91 85.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -64.13 -48.96 74.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.614 ' CZ3' HG11 ' A' ' 158' ' ' VAL . 61.5 t-105 -62.05 -43.4 98.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 152' ' ' LEU . 39.3 t -46.04 -43.32 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.368 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -70.17 -33.87 72.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.133 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.614 HG11 ' CZ3' ' A' ' 155' ' ' TRP . 97.3 t -63.61 -42.34 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.825 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 40.8 t -77.62 -31.79 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.083 . . . . 0.0 109.357 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.04 -35.09 79.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -90.05 -60.07 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.678 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 9.1 mmtt -82.56 -79.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.825 ' HB2' ' O ' ' A' ' 159' ' ' VAL . . . 85.03 -47.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.559 ' O ' ' CG ' ' A' ' 164' ' ' PHE . 1.9 p90 -155.39 61.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.467 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -116.94 168.42 8.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.35 18.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.552 1.817 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.52 0.55 56.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.517 ' CG2' HG12 ' A' ' 158' ' ' VAL . 0.3 OUTLIER -103.57 -34.32 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 27.3 mm -53.66 -45.26 98.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.12 -37.06 2.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -33.54 74.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.721 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 2.5 t80 -61.81 -39.44 91.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 3.9 t -74.62 -27.09 60.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.4 -45.95 61.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.577 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.27 -27.42 53.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.454 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 4.1 p -100.77 13.82 33.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.35 105.97 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 45.42 67.85 1.14 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.33 -176.62 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 0.0 109.246 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.831 HG21 HD11 ' A' ' 247' ' ' ILE . 1.3 p -109.68 -175.91 0.37 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.2 Cg_endo -75.02 -39.62 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -31.07 69.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.746 ' OD1' HD12 ' A' ' 147' ' ' ILE . 5.9 t0 -80.83 -48.83 11.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 180' ' ' THR . 8.7 mt -61.82 -34.18 75.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.227 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -71.5 -31.84 67.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.787 HG22 HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -68.61 -48.45 64.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.601 ' O ' HG22 ' A' ' 190' ' ' THR . 1.8 ppp? -69.79 -32.93 71.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.664 HD22 ' CE ' ' A' ' 198' ' ' MET . 10.4 mt -74.28 -32.68 63.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 189' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 189' ' ' ASN . 38.3 t-20 -68.7 -30.24 68.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 187' ' ' MET . 1.8 t -87.85 -13.66 41.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.901 HG11 ' HE1' ' A' ' 198' ' ' MET . 0.6 OUTLIER -51.65 -177.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.515 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -167.37 57.05 0.23 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 193' ' ' GLY . . . . . 0.664 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -109.33 28.26 11.22 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 79.58 136.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.59 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -57.92 -38.05 75.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.33 76.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.17 -49.67 76.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.901 ' HE1' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.9 -34.44 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -69.71 -54.56 13.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -58.74 -30.26 67.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.581 HD13 ' HA3' ' A' ' 269' ' ' GLY . 16.8 tp -65.71 -42.84 90.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -60.9 -29.57 69.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.73 -46.32 75.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.51 -48.02 61.9 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 1.13 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.731 HD11 ' HA ' ' A' ' 266' ' ' ILE . 18.4 mt -58.3 -55.54 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -58.2 -37.4 74.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.293 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -65.81 -29.73 70.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.231 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 208' ' ' GLU . . . . . 0.561 ' OE1' HD22 ' A' ' 268' ' ' LEU . 0.3 OUTLIER -68.01 -40.2 83.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.533 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -65.57 -50.12 66.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.89 76.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.48 -40.11 96.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -57.73 -61.27 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 108.008 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.24 -34.51 66.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -60.35 -41.8 94.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 110.353 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.571 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.9 pp -93.96 -0.01 55.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -111.55 97.1 35.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.607 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 55.66 3.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.018 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 8.1 p -51.31 122.53 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.14 163.86 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.61 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -88.15 178.36 6.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 122.08 136.42 4.94 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.469 1.106 . . . . 0.0 111.08 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.42 14.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.437 1.756 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.602 HD11 ' HA ' ' A' ' 228' ' ' MET . 15.7 tt -54.65 159.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.972 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -90.94 156.75 44.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 0.0 109.346 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 100.88 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 106.01 -14.22 44.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.445 1.09 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.972 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 11.9 mp0 -97.24 172.7 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.777 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.602 ' HA ' HD11 ' A' ' 223' ' ' ILE . 0.9 OUTLIER -136.26 121.43 19.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -102.11 159.4 15.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -40.56 102.31 0.26 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.214 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 249' ' ' TRP . 18.2 Cg_endo -75.03 164.14 33.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.526 1.803 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 169.42 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.54 ' HA2' HD12 ' A' ' 236' ' ' ILE . . . -48.72 -37.97 21.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -45.44 93.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 0.757 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 235' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.5 OUTLIER -59.92 -35.81 75.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.599 HG23 HG22 ' A' ' 258' ' ' VAL . 65.6 mt -60.64 -33.22 53.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.28 -22.69 61.93 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 87.46 25.22 33.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.73 -38.24 47.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 25.1 m -118.4 -0.43 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.377 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 241' ' ' SER . . . . . 0.401 ' HA ' ' OE1' ' A' ' 245' ' ' GLU . 1.2 t -112.69 145.24 40.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.43 167.32 13.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.614 HD13 ' CG1' ' A' ' 247' ' ' ILE . 3.0 tm? -58.26 -60.86 3.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -49.36 -22.33 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.221 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 249' ' ' TRP . 0.6 OUTLIER -70.77 -49.33 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -69.82 -38.81 76.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.831 HD11 HG21 ' A' ' 180' ' ' THR . 50.0 mm -55.14 -61.0 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.863 ' HA2' HG22 ' A' ' 251' ' ' THR . . . -60.36 -35.87 89.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.576 ' CZ2' ' HG3' ' A' ' 231' ' ' PRO . 0.0 OUTLIER -59.53 -33.34 71.26 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.4 mtm -80.11 -26.91 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 251' ' ' THR . . . . . 0.863 HG22 ' HA2' ' A' ' 248' ' ' GLY . 6.7 t -109.74 22.38 15.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.411 1.069 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.475 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 73.2 t60 -91.96 167.4 12.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.475 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 1.3 m120 -121.64 111.14 33.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.327 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -75.0 159.79 97.51 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.062 -2.474 . . . . 0.0 110.977 0.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.97 123.36 7.84 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.535 1.808 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 3.5 mt -96.95 115.59 65.77 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 54.47 3.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.721 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.5 OUTLIER -63.02 -39.81 86.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -62.29 -41.93 99.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.26 -32.33 71.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 258' ' ' VAL . 25.5 mt -64.66 -45.37 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -70.77 -48.86 52.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 266' ' ' ILE . 0.3 OUTLIER -56.14 -35.84 67.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 57.6 ttt180 -67.29 -34.13 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -62.19 -42.26 99.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 107.979 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.962 HG22 HD11 ' A' ' 270' ' ' LEU . 54.5 mt -57.96 -48.25 84.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -32.37 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 268' ' ' LEU . . . . . 0.561 HD22 ' OE1' ' A' ' 208' ' ' GLU . 0.0 OUTLIER -57.89 -58.01 10.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.581 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.63 -59.71 8.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.962 HD11 HG22 ' A' ' 266' ' ' ILE . 12.4 mt -42.87 -35.7 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 0.81 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -62.97 -47.04 84.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 269' ' ' GLY . 23.7 tttt -66.97 -37.4 84.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 0.823 HD12 ' HA ' ' A' ' 270' ' ' LEU . 51.6 mt -58.86 -45.95 91.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.78 -41.99 77.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -63.55 -16.22 60.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.91 -35.28 12.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 0.414 ' CG ' ' CE2' ' A' ' 164' ' ' PHE . 0.1 OUTLIER -99.84 16.53 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.38 153.7 92.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 154.87 42.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 111.049 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 3.0 m -80.33 102.04 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.363 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 65.2 p 177.85 151.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 7.8 mt 64.18 139.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 7.3 tt -173.36 155.61 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -168.14 163.57 13.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.573 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -175.69 157.83 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.593 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.7 170.69 1.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.555 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -175.38 173.93 2.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.609 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -172.11 139.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 109.566 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.0 176.01 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -56.57 12.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.28 84.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.91 58.15 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.942 HG11 HG21 ' A' ' 34' ' ' ILE . 3.0 t -112.16 -63.68 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.625 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.9 mt -99.65 152.39 20.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.07 179.62 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.09 -57.95 16.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.414 1.071 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.05 -41.39 27.37 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.94 -41.29 87.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 110.291 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.75 HD21 HD21 ' A' ' 31' ' ' LEU . 5.3 tp -64.95 -44.11 90.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.489 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -55.91 -31.99 63.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -44.27 38.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.871 ' CE3' HD12 ' A' ' 85' ' ' LEU . 32.9 t-105 -56.79 -61.21 2.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 108.006 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -56.37 -23.46 37.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 8.4 mttt -87.17 45.24 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.766 HD13 HG13 ' A' ' 84' ' ' VAL . 91.0 mt -144.21 138.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -87.16 147.05 25.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.338 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 21' ' ' LEU . 3.8 mt -78.33 -127.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 169.66 -54.37 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.412 1.07 . . . . 0.0 110.355 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.5 Cg_endo -74.98 124.93 9.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.1 -0.53 75.86 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.33 -126.7 2.87 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -156.78 57.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -84.9 -172.13 4.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -110.35 143.59 40.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.237 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.558 ' N ' HD21 ' A' ' 21' ' ' LEU . 1.3 m-85 -67.5 147.93 52.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -142.45 171.36 14.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.75 HD21 HD21 ' A' ' 13' ' ' LEU . 2.4 mm? -61.58 -28.61 69.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -61.68 -46.13 91.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -62.79 -35.71 80.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.942 HG21 HG11 ' A' ' 7' ' ' VAL . 3.7 mt -62.9 -49.57 83.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.55 -42.88 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -62.58 -40.89 98.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.007 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.67 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.08 -52.78 64.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.873 ' HA ' HD12 ' A' ' 41' ' ' LEU . 9.7 p -61.71 -34.78 76.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.64 -40.89 93.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -34.93 79.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.914 ' O ' HG12 ' A' ' 46' ' ' VAL . 31.4 mt -57.88 -50.14 74.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.19 -41.96 80.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.591 1.182 . . . . 0.0 110.277 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -37.75 77.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.44 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 35.5 t80 -75.96 0.47 18.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 67.62 46.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.914 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.1 p -124.97 150.03 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.64 129.8 94.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.9 18.4 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.79 -11.47 57.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.757 HD12 HD11 ' A' ' 60' ' ' ILE . 29.4 mt -72.22 -40.29 67.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.769 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.767 HD11 HD22 ' A' ' 85' ' ' LEU . 10.8 tp -66.59 -14.66 62.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.23 -21.95 55.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.81 150.05 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.445 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.403 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 19.4 p -65.27 -30.75 71.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.965 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.89 -50.1 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.487 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -60.25 -34.78 85.98 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.605 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -63.95 -41.25 97.65 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -60.04 -39.58 86.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -37.46 87.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.647 1.217 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.757 HD11 HD12 ' A' ' 50' ' ' LEU . 1.6 mp -73.55 -74.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.519 ' N ' HG22 ' A' ' 60' ' ' ILE . 14.1 tp -41.78 -39.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.6 -48.8 82.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -94.92 19.92 9.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 0.739 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 79' ' ' TYR . 9.9 tp -103.62 -29.38 11.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.605 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.5 tm0? -52.18 -45.24 94.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.01 -40.03 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.582 1.833 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.815 ' HA ' HG22 ' A' ' 70' ' ' THR . 48.9 m -68.13 -11.52 59.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.897 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.7 mt -70.55 -44.28 67.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -73.87 -7.33 51.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.815 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.74 -5.64 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.574 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.43 -98.56 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 22.2 p 168.99 -177.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 0.764 . . . . 0.0 109.952 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.58 -40.66 95.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -71.14 -47.26 58.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.574 HD13 ' CA ' ' A' ' 71' ' ' GLY . 8.3 tt -60.8 -34.64 74.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.58 ' HA ' HD22 ' A' ' 68' ' ' LEU . 5.2 ttt-85 -61.94 -41.27 97.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.466 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 0.3 OUTLIER -63.38 -30.0 71.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -67.07 -45.94 75.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.897 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.0 t80 -53.56 -44.31 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.605 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 2.3 p30 -65.3 -26.61 68.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.564 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 22.4 m -70.89 -43.93 67.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.605 HG23 ' SG ' ' A' ' 57' ' ' CYS . 42.4 mt -72.35 -42.79 65.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.983 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -49.76 -52.71 29.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.766 HG13 HD13 ' A' ' 19' ' ' ILE . 3.7 t -58.61 -42.75 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.871 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -57.06 -41.2 78.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -59.89 -36.75 77.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.52 ' HA ' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -66.62 -41.62 88.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.8 -32.65 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.403 ' HB3' ' CB ' ' A' ' 54' ' ' SER . 26.1 m170 -65.36 -40.31 93.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 109.584 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.554 ' CB ' HD11 ' A' ' 92' ' ' ILE . 1.1 mt-30 -86.62 -20.32 28.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 87' ' ' CYS . 20.5 ttt180 73.7 36.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.283 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.554 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.8 mt -75.68 141.31 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.158 . . . . 0.0 109.401 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.77 106.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 15.1 m -131.57 172.75 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -145.38 -47.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.9 170.65 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.545 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 55.0 m -60.29 -45.41 93.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.431 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.55 67.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 103' ' ' LYS . 2.0 tp10 -67.75 -32.0 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.848 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.29 -41.35 76.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.583 HD11 ' HE1' ' A' ' 79' ' ' TYR . 1.1 mp -56.73 -45.12 82.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.91 -40.12 65.76 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 109.235 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.489 ' HG2' HG22 ' A' ' 92' ' ' ILE . 3.5 mptt -66.14 -61.23 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.983 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 2.7 pt -55.68 -27.9 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 3.6 mm-40 -59.25 -54.11 50.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.454 ' CG ' ' HE3' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -57.19 -51.03 70.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -52.59 -51.66 58.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.358 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -55.06 -52.8 62.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.427 1.079 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -53.06 -43.74 66.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.454 ' HE3' ' CG ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -59.01 -55.19 38.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.56 -51.05 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -53.81 36.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -51.49 -53.94 32.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.175 . . . . 0.0 109.242 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.47 -50.55 40.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.47 -54.42 37.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.43 -50.23 52.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -54.42 -54.65 37.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.89 ' O ' HG23 ' A' ' 122' ' ' THR . . . -52.97 -41.87 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.23 90.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.62 6.47 20.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -111.93 -5.25 14.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 118' ' ' ALA . 73.3 p -118.04 164.62 14.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.465 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.42 -58.65 0.45 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -40.74 143.02 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 0.803 . . . . 0.0 109.254 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.9 m120 58.7 104.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.0 p -108.32 163.36 13.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -54.48 150.89 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 68.1 t -138.49 137.19 43.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.52 1.138 . . . . 0.0 109.39 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.01 162.3 31.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -165.01 150.46 9.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -124.54 153.4 42.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -140.34 93.25 9.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 0.0 111.024 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 140.43 25.68 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.431 1.753 . . . . 0.0 111.054 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 40.6 mm -116.93 138.92 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.4 m -42.05 147.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.1 135.7 39.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -87.42 117.25 26.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.512 HD22 ' OE2' ' A' ' 177' ' ' GLU . 0.0 OUTLIER -173.81 150.14 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.51 117.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 178.39 -148.55 8.51 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.525 1.14 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -165.05 71.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 0.81 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 175.38 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.3 t 44.95 92.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.88 142.45 33.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.663 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -82.22 147.98 28.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.9 -176.57 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.584 HG12 HG21 ' A' ' 151' ' ' THR . 1.1 tt -83.4 143.48 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.83 160.64 52.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.946 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -23.35 13.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.442 1.759 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -37.26 87.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.584 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -70.56 -35.49 73.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.454 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.977 HD21 HG22 ' A' ' 186' ' ' THR . 25.7 mt -64.87 -43.11 94.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -67.75 -45.67 74.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.75 77.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.433 ' O ' ' N ' ' A' ' 158' ' ' VAL . 33.3 t-105 -61.97 -47.12 86.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 152' ' ' LEU . 28.2 t -46.72 -43.64 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -61.25 -37.17 82.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.542 HG11 ' SD ' ' A' ' 171' ' ' MET . 47.8 t -70.05 -37.71 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.524 HG11 ' N ' ' A' ' 192' ' ' GLY . 77.0 t -52.93 -42.72 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.9 -38.56 64.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -40.6 85.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.952 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -179.05 72.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.49 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -38.25 -48.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.668 ' CZ ' ' CD2' ' A' ' 277' ' ' TYR . 3.5 p90 -127.41 146.26 50.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.412 ' N ' HG22 ' A' ' 274' ' ' VAL . 0.0 OUTLIER 170.13 171.64 0.16 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -19.42 17.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.94 5.19 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.952 HG21 ' O ' ' A' ' 162' ' ' LYS . 13.9 t -102.22 -33.64 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.8 mm -52.17 -45.48 93.98 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.2 Cg_endo -75.05 -34.71 3.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.542 ' SD ' HG11 ' A' ' 158' ' ' VAL . 0.0 OUTLIER -61.75 -42.49 99.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.944 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.79 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 24.8 t80 -64.53 -32.42 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 6.8 p -70.56 -26.85 63.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.078 . . . . 0.0 109.952 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.34 -46.14 61.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.412 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.28 -21.5 53.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.577 ' HB2' HD21 ' A' ' 184' ' ' LEU . 9.9 p -106.19 14.13 28.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.942 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.512 ' OE2' HD22 ' A' ' 138' ' ' LEU . 0.1 OUTLIER -49.68 99.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.352 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 58.79 63.5 5.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.71 -176.81 3.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.885 HG21 HD11 ' A' ' 247' ' ' ILE . 0.6 OUTLIER -116.44 -173.09 0.24 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 110.425 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.3 Cg_endo -75.01 -42.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -69.86 -39.56 76.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.06 -46.89 61.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 180' ' ' THR . 19.8 mt -60.83 -48.79 80.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -55.07 -37.29 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.977 HG22 HD21 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -61.76 -45.6 93.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.534 ' O ' HG22 ' A' ' 190' ' ' THR . 1.4 ttt -62.6 -45.27 93.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.459 HD22 ' CE ' ' A' ' 198' ' ' MET . 44.3 mt -72.03 -16.51 62.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -78.36 -35.18 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 187' ' ' MET . 7.1 t -86.09 -13.0 48.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.544 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.6 OUTLIER -52.0 -177.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 191' ' ' VAL . . . 165.76 98.09 0.12 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -147.96 -48.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.01 120.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.499 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -57.56 -39.84 77.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.551 1.157 . . . . 0.0 110.234 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.02 -49.34 76.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.36 -49.57 77.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.544 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.9 OUTLIER -57.91 -33.6 68.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -66.35 -53.27 38.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -59.25 -46.28 88.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 0.0 111.049 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.799 ' HB2' HD11 ' A' ' 273' ' ' ILE . 1.5 tp -57.74 -39.28 76.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -41.33 96.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 203' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.5 tt0 -67.09 -37.59 84.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.245 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.18 -42.23 72.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.816 HD11 ' HA ' ' A' ' 266' ' ' ILE . 40.8 mt -66.52 -55.44 18.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -58.39 -42.77 87.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 38.3 tt0 -66.15 -29.35 69.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -35.05 78.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.566 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -72.91 -50.19 25.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.53 -48.17 75.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.95 -36.27 77.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 212' ' ' TRP . . . . . 0.687 ' CE3' HD11 ' A' ' 215' ' ' LEU . 20.7 t-105 -57.65 -62.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.029 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 213' ' ' ASP . . . . . 0.48 ' OD1' ' CG ' ' A' ' 232' ' ' ARG . 53.6 m-20 -56.43 -32.75 65.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -58.61 -35.98 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.687 HD11 ' CE3' ' A' ' 212' ' ' TRP . 3.4 pp -106.64 -2.43 21.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 216' ' ' HIS . . . . . 0.506 ' CG ' ' CZ2' ' A' ' 212' ' ' TRP . 10.7 t60 -111.44 106.76 57.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.601 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 0.62 HG23 ' CB ' ' A' ' 230' ' ' GLU . 12.5 p -85.16 49.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 219' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 218' ' ' VAL . 21.0 m80 47.79 -175.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.607 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -106.36 125.62 51.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 221' ' ' GLY . . . . . 0.405 ' HA2' ' HD3' ' A' ' 222' ' ' PRO . . . 116.81 137.87 6.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 222' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 223' ' ' ILE . 18.1 Cg_endo -75.03 54.33 3.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.759 HG21 ' HA ' ' A' ' 229' ' ' ARG . 4.4 pt 47.96 -174.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.892 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -82.62 153.57 67.95 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 106.07 2.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 103.41 -20.63 41.76 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.892 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 14.4 mm100 -82.93 172.2 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.604 ' HE2' ' CD2' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -74.9 164.37 26.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 0.759 ' HA ' HG21 ' A' ' 223' ' ' ILE . 0.0 OUTLIER -114.15 145.17 42.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.62 ' CB ' HG23 ' A' ' 218' ' ' VAL . 0.1 OUTLIER -35.68 150.4 0.1 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.932 ' HG3' HD13 ' A' ' 256' ' ' ILE . 18.3 Cg_endo -75.06 81.91 2.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 232' ' ' ARG . . . . . 0.48 ' CG ' ' OD1' ' A' ' 213' ' ' ASP . 2.5 mtm105 -86.2 -179.25 6.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.359 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.566 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -67.47 -38.39 90.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 234' ' ' SER . . . . . 0.833 ' O ' HG22 ' A' ' 239' ' ' THR . 5.5 m -72.67 -47.63 45.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 0.727 . . . . 0.0 109.978 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -45.08 95.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.755 HG12 HG22 ' A' ' 258' ' ' VAL . 14.0 mt -60.59 -27.8 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 237' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -73.06 -16.29 61.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.239 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 85.57 22.16 51.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 239' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 234' ' ' SER . 15.4 t -90.66 -33.98 15.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 0.0 110.404 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 240' ' ' THR . . . . . 0.535 HG22 ' NE ' ' A' ' 229' ' ' ARG . 93.8 m -104.03 -3.27 24.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.487 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.32 153.26 45.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.56 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.5 OUTLIER -86.34 175.69 8.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.167 . . . . 0.0 110.418 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.681 ' C ' HD13 ' A' ' 243' ' ' LEU . 2.4 tm? -60.16 -62.84 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -47.89 -48.5 31.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.447 ' O ' ' CE ' ' A' ' 228' ' ' MET . 1.1 mm-40 -61.13 -33.96 74.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 246' ' ' GLN . . . . . 0.685 ' HG3' HG11 ' A' ' 258' ' ' VAL . 3.1 tp60 -70.39 -72.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.885 HD11 HG21 ' A' ' 180' ' ' THR . 0.9 OUTLIER -41.36 -34.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -61.19 -48.22 86.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.604 ' CD2' ' HE2' ' A' ' 228' ' ' MET . 0.7 OUTLIER -67.33 -31.69 72.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 250' ' ' MET . . . . . 0.466 ' CE ' HG13 ' A' ' 247' ' ' ILE . 7.6 mtm -62.17 -26.34 68.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 15.3 t -116.81 22.3 12.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.531 ' CE1' ' CZ3' ' A' ' 249' ' ' TRP . 0.1 OUTLIER -78.56 173.9 11.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.647 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.408 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 43.3 m-20 -122.55 110.56 32.01 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.0 Cg_endo -75.07 159.41 97.99 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.933 0.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.01 119.93 5.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 256' ' ' ILE . . . . . 0.932 HD13 ' HG3' ' A' ' 231' ' ' PRO . 5.8 mt -92.68 133.21 29.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.554 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.3 Cg_endo -74.97 59.93 5.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.755 HG22 HG12 ' A' ' 236' ' ' ILE . 2.6 t -64.36 -68.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 259' ' ' GLY . . . . . 0.444 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.33 -32.7 81.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -69.54 -32.99 72.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.554 HD12 ' O ' ' A' ' 257' ' ' PRO . 8.6 mt -70.6 -39.44 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 262' ' ' TYR . . . . . 0.591 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 1.0 OUTLIER -63.92 -48.66 75.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.084 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -56.3 -33.98 66.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.601 1.188 . . . . 0.0 109.373 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 62.3 mtt-85 -67.22 -34.53 77.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.547 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 47.0 m0 -62.18 -44.09 97.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 107.951 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.828 HG22 HD11 ' A' ' 270' ' ' LEU . 67.4 mt -56.84 -47.47 82.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.43 HG13 HG23 ' A' ' 169' ' ' ILE . 0.5 OUTLIER -60.02 -29.68 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -55.64 25.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.725 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.2 -58.2 13.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.985 ' O ' HG23 ' A' ' 274' ' ' VAL . 12.7 mt -44.03 -35.46 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -63.04 -45.91 90.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.0 OUTLIER -67.84 -37.39 81.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 201' ' ' LEU . 27.5 mt -64.88 -33.43 63.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 270' ' ' LEU . 94.0 t -68.77 -45.66 80.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -16.2 63.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.59 -37.89 12.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 0.668 ' CD2' ' CZ ' ' A' ' 164' ' ' PHE . 20.8 m-85 -101.42 15.54 28.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 111.063 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.98 154.59 80.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 8.6 t -137.76 139.85 40.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.35 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 27.5 p -140.14 158.92 43.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 282' ' ' ILE . . . . . 0.626 ' O ' HD22 ' A' ' 283' ' ' LEU . 0.9 OUTLIER -138.6 142.98 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 283' ' ' LEU . . . . . 0.626 HD22 ' O ' ' A' ' 282' ' ' ILE . 0.5 OUTLIER -142.5 170.98 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -174.85 113.77 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.574 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -178.06 142.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.606 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -176.5 151.03 0.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.55 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -178.63 150.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.548 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.16 172.45 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.609 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.65 179.939 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.407 ' N ' ' CB ' ' A' ' 38' ' ' SER . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.464 ' HB2' ' HG2' ' A' ' 48' ' ' PRO . . . -53.61 110.21 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.27 171.5 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.64 -175.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.367 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.23 60.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.101 HG11 HG21 ' A' ' 34' ' ' ILE . 33.4 t -96.53 -65.31 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.619 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.2 mt -101.44 155.66 17.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.76 179.9 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.084 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.67 -57.8 17.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.11 -40.79 19.5 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' HG2' HG12 ' A' ' 88' ' ' VAL . 4.4 mt-10 -58.72 -39.89 82.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 0.818 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.72 ' CD1' HD11 ' A' ' 31' ' ' LEU . 4.3 tp -67.92 -44.13 77.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -55.91 -35.83 67.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -44.86 63.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.872 ' CE3' HD12 ' A' ' 85' ' ' LEU . 48.9 t-105 -56.71 -53.03 62.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.43 -23.03 56.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.14 48.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 2.0 mm -129.46 143.29 41.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -97.41 142.21 29.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.5 mt -94.34 -123.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.524 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 174.36 -55.73 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -75.0 132.69 15.71 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.559 1.821 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.94 -1.49 59.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 127.06 -18.75 6.15 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 90.83 74.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 0.797 . . . . 0.0 109.335 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -141.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 4.2 mp0 -133.77 143.03 48.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.464 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -58.62 148.09 30.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -139.91 172.44 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.72 HD11 ' CD1' ' A' ' 13' ' ' LEU . 2.6 mm? -60.96 -27.73 68.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -61.87 -45.02 95.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.38 -36.05 82.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.101 HG21 HG11 ' A' ' 7' ' ' VAL . 5.0 mt -63.65 -51.0 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.2 -43.1 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -62.44 -41.12 98.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 108.007 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.64 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.46 -51.73 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.588 ' HA ' HD12 ' A' ' 41' ' ' LEU . 11.4 p -61.66 -34.84 76.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -60.56 -40.93 93.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.36 -34.76 79.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.897 ' O ' HG12 ' A' ' 46' ' ' VAL . 82.0 mt -57.84 -50.11 74.4 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.27 -42.05 80.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -58.49 -37.71 76.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 10.3 t80 -76.05 0.42 18.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 67.8 46.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.897 HG12 ' O ' ' A' ' 41' ' ' LEU . 6.1 p -124.94 149.9 29.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -64.57 131.41 95.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.464 ' HG2' ' HB2' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.98 -18.78 18.5 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.586 1.835 . . . . 0.0 111.045 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.47 -11.86 57.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.437 HD12 HD11 ' A' ' 60' ' ' ILE . 27.7 mt -72.07 -39.54 68.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.83 HD11 HD22 ' A' ' 85' ' ' LEU . 12.3 tp -68.73 -16.54 63.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -21.95 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.81 145.75 50.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.7 p -60.08 -32.64 71.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -63.99 -49.9 70.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -62.0 -34.95 90.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.743 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -63.98 -43.77 94.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.51 ' HG3' ' CZ ' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -60.05 -38.49 82.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -39.82 89.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.825 HG12 HD22 ' A' ' 41' ' ' LEU . 1.5 mp -70.88 -72.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.485 ' N ' HG22 ' A' ' 60' ' ' ILE . 14.0 tp -40.35 -37.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.05 -48.83 76.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' ILE . 1.5 tt0 -93.06 21.56 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.499 HD21 ' CD1' ' A' ' 78' ' ' LEU . 21.0 tp -110.16 -27.6 9.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.606 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.2 tm0? -50.85 -45.72 87.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.94 -38.77 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.805 ' HA ' HG22 ' A' ' 70' ' ' THR . 25.6 m -68.32 -12.58 61.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.944 HD11 ' CG ' ' A' ' 79' ' ' TYR . 7.3 mt -70.58 -44.27 67.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -75.46 -6.49 50.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.805 HG22 ' HA ' ' A' ' 67' ' ' SER . 1.7 t -117.91 -7.13 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.616 ' HA3' HD12 ' A' ' 75' ' ' LEU . . . -83.36 -100.06 0.54 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.1 p 169.8 -175.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.761 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.68 -41.92 96.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.596 1.185 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -47.43 54.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.687 HD11 HD23 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -58.18 -34.85 70.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.574 ' HA ' HD22 ' A' ' 68' ' ' LEU . 33.3 ttt85 -62.19 -44.03 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.3 -35.2 67.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.64 HD23 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -61.94 -47.17 86.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.944 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -60.51 -41.57 94.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.848 ' OD1' HD13 ' A' ' 101' ' ' LEU . 2.6 t-20 -63.35 -31.62 72.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.614 HG23 ' HH2' ' A' ' 16' ' ' TRP . 8.2 m -70.02 -47.76 60.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.743 HG23 ' SG ' ' A' ' 57' ' ' CYS . 67.8 mt -64.37 -43.34 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.644 1.215 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 1.036 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -49.56 -51.43 36.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.639 HG22 ' HB2' ' A' ' 100' ' ' ALA . 5.4 t -57.85 -43.8 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.872 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.75 -43.71 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.51 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 39.6 t80 -60.25 -43.91 95.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.497 ' SG ' HG21 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -62.76 -37.43 86.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.436 HG12 ' HG2' ' A' ' 12' ' ' GLU . 5.2 t -61.06 -32.81 53.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 15.4 m170 -67.54 -40.24 85.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.57 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.553 ' CB ' HD11 ' A' ' 92' ' ' ILE . 6.0 mt-30 -86.77 -13.5 45.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 87' ' ' CYS . 34.5 mtp85 64.18 41.42 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.553 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.9 mp -76.01 141.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.16 106.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.497 HG21 ' SG ' ' A' ' 87' ' ' CYS . 17.7 m -139.12 174.0 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.235 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -137.02 -69.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.418 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -101.43 171.69 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.745 HG22 ' CG ' ' A' ' 80' ' ' ASN . 63.2 m -59.71 -42.45 93.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.418 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 1.2 tttt -61.12 -31.56 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -67.56 -32.28 72.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.831 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -68.53 -42.07 79.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.848 HD13 ' OD1' ' A' ' 80' ' ' ASN . 0.8 OUTLIER -56.57 -42.69 79.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -73.58 -42.52 61.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -61.54 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.036 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.8 pt -55.32 -27.89 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 2.7 mt-10 -58.33 -54.08 51.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -58.52 -50.14 74.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.253 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -51.2 59.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -52.98 61.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -53.01 -43.77 66.75 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -54.45 46.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -52.21 44.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 3.3 tptm -53.11 -54.67 32.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.67 -47.46 20.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -62.61 -41.9 99.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 112' ' ' LYS . . . -56.26 -60.8 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 117' ' ' GLN . 2.4 pt20 -57.79 -36.41 72.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.414 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 17.9 mt-30 -57.58 -55.68 31.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.99 ' O ' HG23 ' A' ' 122' ' ' THR . . . -53.11 -56.08 18.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.23 -16.91 23.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -99.21 1.46 44.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -146.2 37.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.99 HG23 ' O ' ' A' ' 118' ' ' ALA . 1.1 p -106.02 129.83 54.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.37 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -140.73 158.98 26.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 174.19 137.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -66.8 103.91 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.388 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.51 119.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -76.31 73.08 3.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.278 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 128' ' ' VAL . 11.8 p -173.6 62.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.394 1.059 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 m 177.74 88.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.545 ' HG3' ' CD1' ' A' ' 132' ' ' TYR . 5.3 pt20 -178.68 154.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.223 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -97.69 105.79 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.545 ' CD1' ' HG3' ' A' ' 130' ' ' GLN . 11.5 p90 -150.11 93.56 3.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.148 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 76.79 3.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 134' ' ' ILE . 8.7 tp -156.7 62.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.3 m -132.58 154.27 39.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -117.41 139.35 51.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 174.48 94.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.509 HD13 ' C ' ' A' ' 138' ' ' LEU . 1.7 tm? -171.41 114.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.422 ' N ' HD13 ' A' ' 138' ' ' LEU . 1.1 pt20 -87.21 135.46 33.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -163.36 167.5 37.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 66.09 149.1 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 0.754 . . . . 0.0 110.294 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.681 ' C ' HG13 ' A' ' 143' ' ' VAL . 2.6 ptp -161.89 133.05 5.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.681 HG13 ' C ' ' A' ' 142' ' ' MET . 1.5 m 60.75 121.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.47 ' HB2' HG23 ' A' ' 247' ' ' ILE . 0.2 OUTLIER -108.55 141.81 39.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 109.611 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -82.28 148.64 28.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.01 -174.69 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.619 HG12 HG21 ' A' ' 151' ' ' THR . 0.4 OUTLIER -78.14 142.67 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.495 ' O ' HG22 ' A' ' 151' ' ' THR . 0.0 OUTLIER -86.62 161.76 47.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.929 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.15 14.14 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.449 1.762 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -44.31 89.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.619 HG21 HG12 ' A' ' 147' ' ' ILE . 2.3 t -70.31 -36.06 74.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.808 ' O ' HG23 ' A' ' 156' ' ' VAL . 25.8 mt -64.03 -32.59 74.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.06 -47.1 66.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.64 -49.62 76.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.679 ' HZ2' HG23 ' A' ' 191' ' ' VAL . 1.9 t90 -61.81 -49.22 77.18 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 152' ' ' LEU . 3.9 t -44.88 -44.11 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -60.1 -37.62 80.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.761 HG11 ' HE2' ' A' ' 171' ' ' MET . 75.6 t -69.42 -45.27 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.688 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 2.6 t -52.87 -46.21 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -21.66 61.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -76.82 -37.53 55.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.687 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -140.19 -57.97 0.54 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.716 ' HB1' ' HA2' ' A' ' 193' ' ' GLY . . . 84.23 -48.4 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.73 ' CE2' ' CD2' ' A' ' 277' ' ' TYR . 4.3 p90 -145.54 109.69 4.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.7 172.32 4.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -19.57 17.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.45 1.763 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.98 -2.46 53.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.73 HG13 ' CE1' ' A' ' 172' ' ' PHE . 2.9 t -99.92 -34.09 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.62 HD11 ' C ' ' A' ' 270' ' ' LEU . 0.3 OUTLIER -49.89 -48.44 77.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.02 -34.22 3.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.761 ' HE2' HG11 ' A' ' 158' ' ' VAL . 1.8 tmm? -61.88 -36.12 80.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.73 ' CE1' HG13 ' A' ' 168' ' ' VAL . 4.6 m-30 -72.81 -35.5 67.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' SER . . . . . 0.599 ' HB2' HD11 ' A' ' 267' ' ' ILE . 3.6 t -73.38 -28.66 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.07 -45.64 63.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.497 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -74.63 -35.93 62.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.487 ' HB2' HD21 ' A' ' 184' ' ' LEU . 25.1 p -95.18 14.37 22.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 176' ' ' SER . 1.0 OUTLIER -38.0 101.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 57.48 66.15 3.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.518 ' HB3' ' HG ' ' A' ' 184' ' ' LEU . . . -103.99 172.91 6.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 0.795 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.762 HG21 HD11 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -96.86 -173.46 0.33 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.5 Cg_endo -74.98 -40.84 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.437 1.756 . . . . 0.0 111.052 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -70.43 -42.09 72.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.27 -49.56 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.234 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.518 ' HG ' ' HB3' ' A' ' 179' ' ' ALA . 21.4 mt -63.74 -37.06 85.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 185' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 38.0 t-20 -63.32 -34.53 77.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.764 HG21 HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -60.82 -45.3 94.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.609 ' SD ' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -68.27 -44.81 74.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.687 HD21 HD21 ' A' ' 201' ' ' LEU . 5.9 mp -80.89 6.03 14.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 189' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 4.9 t-20 -102.04 -49.17 4.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 191' ' ' VAL . 2.3 t -97.69 11.6 36.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.172 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.679 HG23 ' HZ2' ' A' ' 155' ' ' TRP . 0.9 OUTLIER -51.47 -176.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.583 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -159.89 59.39 0.31 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 193' ' ' GLY . . . . . 0.716 ' HA2' ' HB1' ' A' ' 163' ' ' ALA . . . -112.17 -71.27 0.59 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -177.81 130.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.543 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -57.52 -41.84 81.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.56 74.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.04 79.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.479 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.07 -33.19 68.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 111.044 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.85 -53.51 54.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 53.9 mtm -64.56 -46.4 82.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.745 HD12 ' HA3' ' A' ' 269' ' ' GLY . 1.4 tp -57.95 -41.97 83.95 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.574 1.171 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -61.29 -40.94 95.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 203' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 0.7 OUTLIER -66.77 -37.99 85.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 204' ' ' THR . . . . . 0.401 HG23 ' OE1' ' A' ' 208' ' ' GLU . 0.9 OUTLIER -70.06 -40.69 74.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.478 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.699 HD11 ' HA ' ' A' ' 266' ' ' ILE . 31.4 mt -67.04 -55.99 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -40.92 85.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 32.8 tt0 -67.21 -29.21 68.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 208' ' ' GLU . . . . . 0.527 ' OE1' HD22 ' A' ' 268' ' ' LEU . 0.8 OUTLIER -64.72 -32.05 73.55 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.61 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -74.75 -49.75 19.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -58.31 -48.31 80.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 211' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 208' ' ' GLU . 3.0 pp20? -67.08 -36.52 82.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 212' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' A' ' 216' ' ' HIS . 3.6 t-105 -59.08 -60.63 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 107.961 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -56.34 -33.2 65.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -59.23 -42.1 90.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.02 -1.92 56.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 216' ' ' HIS . . . . . 0.562 ' HB2' ' CH2' ' A' ' 212' ' ' TRP . 4.8 t60 -111.17 101.58 50.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.58 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 86.54 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 0.515 ' CG2' ' CB ' ' A' ' 230' ' ' GLU . 0.5 OUTLIER -58.23 127.64 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -93.95 71.48 4.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.67 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -176.64 171.97 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -94.05 -142.96 12.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 140.2 25.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.583 HD11 ' HA ' ' A' ' 228' ' ' MET . 16.7 tt -67.2 157.09 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.827 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -91.87 163.22 28.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 225' ' ' PRO . . . . . 0.457 ' HD2' ' HB1' ' A' ' 224' ' ' ALA . 18.0 Cg_endo -75.03 101.74 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.788 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 101.03 -15.32 58.12 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.827 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 3.4 mm100 -96.31 179.71 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.272 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.591 ' HE2' ' CD2' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -124.39 148.92 47.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.47 94.87 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.259 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.515 ' CB ' ' CG2' ' A' ' 218' ' ' VAL . 15.8 mm-40 59.73 151.14 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.528 ' HB3' HG21 ' A' ' 256' ' ' ILE . 18.2 Cg_endo -74.99 102.86 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -116.72 143.55 45.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.61 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -51.19 -38.41 40.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -35.75 76.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 110.016 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -74.35 -48.5 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.731 ' CG1' HG22 ' A' ' 258' ' ' VAL . 7.0 mt -61.41 -24.24 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -77.07 -23.14 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 86.52 25.91 34.48 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.172 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.43 -38.44 49.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 0.781 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 240' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 240' ' ' THR . 25.2 m -130.42 5.44 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.425 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 8.4 t -121.61 157.92 29.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.47 ' CG2' ' HG2' ' A' ' 244' ' ' GLN . 0.7 OUTLIER -96.88 176.66 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.526 HD22 HD12 ' A' ' 247' ' ' ILE . 1.4 tm? -67.11 -58.74 4.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 244' ' ' GLN . . . . . 0.47 ' HG2' ' CG2' ' A' ' 242' ' ' THR . 0.4 OUTLIER -54.37 -23.12 14.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.458 ' HB3' ' CE ' ' A' ' 228' ' ' MET . 6.5 mt-10 -71.05 -41.14 71.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 246' ' ' GLN . . . . . 0.482 HE21 ' HG3' ' A' ' 181' ' ' PRO . 0.5 OUTLIER -67.93 -53.79 23.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.762 HD11 HG21 ' A' ' 180' ' ' THR . 0.9 OUTLIER -50.84 -41.2 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.88 -51.59 57.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.591 ' CD2' ' HE2' ' A' ' 228' ' ' MET . 0.7 OUTLIER -61.22 -31.93 71.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 24.0 mtm -68.13 -23.57 64.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 251' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 251' ' ' THR . 30.3 m -118.3 22.35 12.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.1 OUTLIER -84.8 170.19 13.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.593 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.03 111.0 32.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 159.42 97.94 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.934 -2.528 . . . . 0.0 110.934 0.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.98 121.3 6.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 256' ' ' ILE . . . . . 0.613 HG23 ' HD2' ' A' ' 257' ' ' PRO . 7.2 mt -89.9 139.75 27.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.178 . . . . 0.0 109.227 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 256' ' ' ILE . 18.1 Cg_endo -75.0 55.15 3.86 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.56 1.821 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.731 HG22 ' CG1' ' A' ' 236' ' ' ILE . 1.8 t -59.77 -60.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 259' ' ' GLY . . . . . 0.429 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -60.98 -42.8 99.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -64.36 -32.38 73.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.693 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 9.0 mt -66.3 -46.12 87.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 262' ' ' TYR . . . . . 0.453 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 0.3 OUTLIER -67.17 -46.69 73.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.925 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -56.18 -40.13 73.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -65.37 -32.93 74.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.693 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 55.0 m0 -62.06 -47.81 83.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 107.991 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.907 HG22 ' CD1' ' A' ' 270' ' ' LEU . 79.4 mt -57.28 -47.21 84.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 173' ' ' SER . 0.4 OUTLIER -60.59 -29.1 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 268' ' ' LEU . . . . . 0.527 HD22 ' OE1' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -64.49 -56.46 13.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.745 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.04 -58.66 11.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.907 ' CD1' HG22 ' A' ' 266' ' ' ILE . 14.7 mt -44.93 -33.1 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 271' ' ' ASN . . . . . 0.418 ' N ' HD11 ' A' ' 169' ' ' ILE . 1.1 m-20 -64.26 -45.22 89.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 269' ' ' GLY . 66.0 mttt -69.17 -37.61 78.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 201' ' ' LEU . 60.1 mt -59.7 -45.73 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 270' ' ' LEU . 79.5 t -71.34 -41.35 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -58.06 -16.5 13.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.16 -28.68 14.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 0.73 ' CD2' ' CE2' ' A' ' 164' ' ' PHE . 7.7 t80 -103.38 17.36 24.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.155 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.91 116.49 48.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 58.14 4.8 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.545 1.813 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 42.4 p -139.29 -55.81 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 4.8 t 60.67 119.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.042 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -173.92 144.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 4.9 tt -157.36 132.92 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -139.19 67.06 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.577 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.57 170.93 7.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.64 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -173.81 92.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.633 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.81 170.28 14.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.599 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 62.19 117.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.551 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.551 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.86 156.52 44.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.758 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.52 134.78 48.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 64.15 176.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.6 56.59 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.066 HG11 HG21 ' A' ' 34' ' ' ILE . 30.0 t -98.21 -66.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.616 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -103.59 152.09 22.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.0 179.64 7.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.975 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.64 -57.46 18.8 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.41 -41.69 29.71 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -41.32 87.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.354 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.618 ' CD1' HD13 ' A' ' 31' ' ' LEU . 8.0 tp -65.05 -40.91 95.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -55.86 -31.58 62.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -77.03 -44.86 29.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.894 ' CE3' HD12 ' A' ' 85' ' ' LEU . 42.1 t-105 -56.96 -63.69 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 107.98 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 4.6 tt0 -53.69 -35.45 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -52.77 -55.42 22.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.82 HD13 HG13 ' A' ' 84' ' ' VAL . 4.4 mt -54.06 142.7 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -100.31 154.07 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.799 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -75.54 -133.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.534 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 176.04 -56.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.534 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.6 Cg_endo -74.97 124.49 8.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.478 1.778 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.12 -1.19 60.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . 144.61 -127.37 2.91 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.0 57.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 0.0 109.242 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.62 -173.78 4.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.248 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.4 146.5 38.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.3 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.629 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 5.6 m-85 -60.16 149.74 31.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HE2' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -143.29 163.29 33.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.618 HD13 ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -60.96 -28.89 69.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -42.96 99.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.467 ' CE1' ' HE2' ' A' ' 30' ' ' LYS . 17.3 m80 -64.17 -36.32 83.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.066 HG21 HG11 ' A' ' 7' ' ' VAL . 7.1 mt -63.9 -50.21 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -49.44 -43.58 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -62.7 -40.6 97.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.508 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.4 -51.89 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.614 ' HA ' HD12 ' A' ' 41' ' ' LEU . 5.8 p -57.9 -34.89 70.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -60.75 -41.03 94.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.32 -34.97 79.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.233 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.932 ' O ' HG12 ' A' ' 46' ' ' VAL . 77.1 mt -59.06 -49.33 78.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.96 -39.13 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.38 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -38.89 77.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 9.0 t80 -76.68 -0.39 23.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 70.01 46.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.932 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.9 p -124.9 149.4 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -65.13 135.2 96.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -18.96 18.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.78 -12.66 54.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.563 1.165 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.509 HD12 HG22 ' A' ' 46' ' ' VAL . 24.8 mt -73.51 -30.78 63.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 0.752 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.695 HD11 HD22 ' A' ' 85' ' ' LEU . 13.3 tp -78.51 -15.89 58.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -22.11 54.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.554 1.159 . . . . 0.0 110.378 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.96 150.39 48.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.446 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.516 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 11.1 t -64.79 -31.44 72.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.964 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 56' ' ' GLY . 12.7 pt-20 -63.07 -39.93 96.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.664 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -71.18 -40.41 61.46 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.431 1.082 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.605 ' SG ' HD12 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -63.87 -44.0 94.41 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -34.58 73.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.08 -37.37 75.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.739 HG12 HD22 ' A' ' 41' ' ' LEU . 1.1 mp -70.99 -72.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.572 ' N ' HG22 ' A' ' 60' ' ' ILE . 10.6 tp -41.99 -38.01 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.51 -48.58 83.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.401 1.063 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.6 19.48 11.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 0.812 . . . . 0.0 110.359 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.491 HD23 ' CD2' ' A' ' 79' ' ' TYR . 14.6 tp -104.13 -27.54 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.606 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.6 tm0? -51.94 -45.44 92.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.02 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.42 1.747 . . . . 0.0 111.012 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.831 ' HA ' HG22 ' A' ' 70' ' ' THR . 18.5 m -68.73 -12.03 60.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.908 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.9 mt -71.02 -43.8 67.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' A' ' 66' ' ' PRO . 3.0 pt20 -74.64 -6.9 51.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.831 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.77 -5.08 10.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.388 1.055 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.775 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -82.42 -99.42 0.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.7 p 169.19 -175.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.54 -41.23 98.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -47.12 58.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.775 HD13 ' CA ' ' A' ' 71' ' ' GLY . 6.6 tt -61.72 -33.86 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.61 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -61.59 -40.29 94.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.5 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -65.47 -30.8 71.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.67 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -63.86 -41.34 97.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.908 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.6 t80 -62.33 -42.77 99.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.557 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.1 OUTLIER -58.38 -32.19 68.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 37' ' ' ALA . 95.3 m -68.64 -48.7 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.541 HD13 HG21 ' A' ' 60' ' ' ILE . 19.1 mt -67.06 -32.1 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.961 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -60.43 -58.79 7.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.243 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.82 HG13 HD13 ' A' ' 19' ' ' ILE . 3.1 t -58.14 -42.48 83.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.894 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.52 -46.34 80.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -60.02 -32.96 71.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.455 ' HB2' HG22 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -70.74 -37.96 73.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 108.267 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.8 t -62.88 -32.71 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.516 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 22.7 m80 -67.8 -40.24 83.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.511 ' CB ' HD11 ' A' ' 92' ' ' ILE . 5.8 mm-40 -84.98 -20.11 31.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER 71.43 39.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.511 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.9 mp -75.89 141.78 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -64.43 107.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.447 HG21 ' SG ' ' A' ' 87' ' ' CYS . 12.0 m -135.54 174.3 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -144.38 -48.03 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.245 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.92 170.86 9.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.466 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 99.2 m -59.63 -46.2 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -58.19 -32.03 67.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -33.2 74.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 110.352 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.814 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -70.09 -39.86 75.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 2.0 mp -56.65 -45.99 81.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -73.14 -41.0 64.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.445 ' HB3' HG21 ' A' ' 92' ' ' ILE . 7.2 mptt -64.53 -62.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.961 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pt -55.48 -28.25 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 5.7 mt-10 -57.52 -53.94 52.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.36 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -49.04 79.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -52.03 -50.95 60.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -55.37 -52.83 62.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -53.06 -43.69 66.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -56.28 24.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -49.69 -49.85 45.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -54.06 34.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -54.85 26.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.12 -48.82 33.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.44 -55.46 25.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -50.89 -50.61 56.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.429 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -51.04 -50.92 57.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.706 ' O ' HG23 ' A' ' 122' ' ' THR . . . -57.53 -51.43 69.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.98 -20.85 3.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.421 1.076 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -91.56 -34.41 14.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.483 ' OD1' HG23 ' A' ' 122' ' ' THR . 0.3 OUTLIER -89.49 15.4 9.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.579 1.175 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 118' ' ' ALA . 5.7 p -114.33 82.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.446 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -168.37 -58.54 0.03 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -118.97 116.47 26.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.25 153.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.5 t -176.73 155.68 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -178.66 143.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.14 163.62 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.05 149.7 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 179.13 148.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -176.14 151.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.268 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -163.99 92.49 1.06 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 151.41 40.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.746 HD13 ' N ' ' A' ' 135' ' ' VAL . 0.2 OUTLIER -170.37 130.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 134' ' ' ILE . 9.6 p -143.13 144.46 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.17 127.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -151.77 165.37 34.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.184 . . . . 0.0 109.336 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.739 HD13 ' O ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -175.74 148.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.546 ' N ' HD22 ' A' ' 138' ' ' LEU . 5.7 mt-30 -149.32 171.38 16.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -112.24 86.27 0.42 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.491 ' O ' HG12 ' A' ' 143' ' ' VAL . 0.2 OUTLIER -118.96 170.7 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.774 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.5 mtt -42.68 116.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 141' ' ' GLN . 7.5 p -174.41 145.58 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.429 ' HB2' ' CG2' ' A' ' 247' ' ' ILE . 3.0 t-160 -85.56 142.61 29.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.565 1.166 . . . . 0.0 109.619 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.92 148.08 28.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.52 -176.41 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.52 HG12 HG21 ' A' ' 151' ' ' THR . 1.3 tt -84.47 143.43 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 159.88 54.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.032 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.93 14.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.561 1.822 . . . . 0.0 111.024 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.89 -37.37 87.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.536 ' OG1' HD21 ' A' ' 175' ' ' LEU . 0.6 OUTLIER -66.99 -36.01 81.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.413 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.982 ' O ' HG23 ' A' ' 156' ' ' VAL . 23.7 mt -63.54 -43.05 98.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -37.45 85.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -63.46 -49.06 75.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 63.7 t-105 -62.3 -43.76 98.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 108.042 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.982 HG23 ' O ' ' A' ' 152' ' ' LEU . 47.4 t -45.58 -43.49 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -70.27 -34.35 72.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 154' ' ' ALA . 92.4 t -63.71 -37.72 80.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.381 1.05 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.602 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 25.1 t -67.89 -46.37 82.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -19.31 64.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.78 -38.5 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.689 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -127.81 -63.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.55 -48.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.455 ' C ' HG22 ' A' ' 274' ' ' VAL . 0.1 OUTLIER -160.85 60.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.47 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -111.22 170.76 4.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.029 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -19.19 17.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.767 . . . . 0.0 110.968 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -92.08 -1.57 57.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.095 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -102.68 -33.45 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.609 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.6 mm -51.49 -46.14 90.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.07 -35.49 3.06 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -33.77 75.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.477 ' HE2' HD12 ' A' ' 267' ' ' ILE . 2.3 t80 -68.41 -36.23 78.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' SER . . . . . 0.484 ' OG ' HD11 ' A' ' 267' ' ' ILE . 0.8 OUTLIER -64.3 -41.66 96.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.114 . . . . 0.0 109.917 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.92 91.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.536 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -77.21 -10.01 59.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.838 ' OG ' HD21 ' A' ' 184' ' ' LEU . 9.0 t -111.19 13.74 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -42.17 103.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 40.75 66.01 0.94 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.91 -175.62 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.935 HG21 HD11 ' A' ' 247' ' ' ILE . 1.2 p -109.44 -177.25 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.67 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.2 Cg_endo -74.99 -36.75 2.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.565 1.824 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -70.01 -42.6 72.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 110.248 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.48 ' OD2' HD12 ' A' ' 147' ' ' ILE . 0.0 OUTLIER -68.03 -48.99 64.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.838 HD21 ' OG ' ' A' ' 176' ' ' SER . 60.7 mt -62.79 -39.48 94.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.67 -33.79 76.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.881 HG22 HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -60.6 -47.91 84.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.362 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.566 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 5.2 ttm -61.91 -46.24 90.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.84 -20.41 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -79.17 -41.78 27.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.632 ' HB ' HD22 ' A' ' 152' ' ' LEU . 2.0 t -78.23 0.1 26.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.443 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.693 HG22 ' H ' ' A' ' 192' ' ' GLY . 1.4 p -54.57 -167.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.693 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -86.48 29.44 4.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.554 1.159 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 193' ' ' GLY . . . . . 0.429 ' N ' HG13 ' A' ' 191' ' ' VAL . . . 56.65 27.58 55.24 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 197' ' ' ALA . 0.8 OUTLIER -70.15 73.44 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 109.595 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -57.26 -43.66 83.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.67 77.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 194' ' ' HIS . . . -60.61 -48.98 79.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.401 ' SD ' ' O ' ' A' ' 194' ' ' HIS . 0.0 OUTLIER -58.23 -33.5 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -62.97 -54.72 33.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 24.0 mtm -68.83 -29.01 67.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.66 HD13 ' HA3' ' A' ' 269' ' ' GLY . 35.6 tp -72.18 -36.42 69.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -64.94 -35.1 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 203' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.5 tt0 -67.9 -45.35 74.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.236 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.11 -49.47 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.525 HD11 HG12 ' A' ' 266' ' ' ILE . 8.6 mt -60.82 -55.68 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -57.96 -32.55 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 0.7 OUTLIER -73.15 -29.71 63.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 208' ' ' GLU . . . . . 0.603 ' CD ' HD13 ' A' ' 268' ' ' LEU . 7.7 mm-40 -64.95 -38.42 90.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.568 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -69.94 -50.35 42.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.74 -47.9 76.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 211' ' ' GLU . . . . . 0.422 ' OE2' ' CG ' ' A' ' 207' ' ' GLU . 3.0 mt-10 -67.08 -34.56 77.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 212' ' ' TRP . . . . . 0.601 ' CZ2' ' CE1' ' A' ' 216' ' ' HIS . 63.3 t-105 -61.62 -65.29 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -56.09 -33.05 64.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -30.59 70.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.624 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.4 pp -105.94 -4.66 20.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 216' ' ' HIS . . . . . 0.601 ' CE1' ' CZ2' ' A' ' 212' ' ' TRP . 0.6 OUTLIER -113.41 92.11 22.1 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.566 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 217' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 218' ' ' VAL . 18.3 Cg_endo -74.95 52.7 3.1 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 111.035 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 218' ' ' VAL . 75.2 t 37.4 55.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -68.78 97.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.573 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 220' ' ' ALA . . . . . 0.507 ' CB ' ' OE2' ' A' ' 230' ' ' GLU . . . -169.74 162.31 9.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -109.64 -141.77 9.3 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.567 1.167 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 123.2 7.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.768 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.628 HD13 ' N ' ' A' ' 229' ' ' ARG . 1.4 pt -108.29 -179.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.777 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -61.4 154.06 65.74 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 106.6 2.31 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.44 1.758 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 101.9 -21.19 42.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.777 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 1.1 mp0 -58.15 -174.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 0.73 . . . . 0.0 110.238 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.865 ' HE2' ' CE2' ' A' ' 249' ' ' TRP . 8.0 ptt? -125.68 90.78 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 0.628 ' N ' HD13 ' A' ' 223' ' ' ILE . 0.2 OUTLIER -50.95 -177.49 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.545 1.153 . . . . 0.0 110.255 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.528 ' O ' ' CG ' ' A' ' 230' ' ' GLU . 6.2 pt-20 -36.82 113.25 0.59 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.377 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.429 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.3 Cg_endo -74.97 143.26 28.95 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -85.16 169.34 13.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.568 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -44.22 -39.24 5.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -42.07 87.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 235' ' ' ASP . . . . . 0.429 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 10.2 m-20 -61.11 -39.44 89.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.473 ' CG1' ' CG2' ' A' ' 258' ' ' VAL . 3.8 mt -60.28 -33.05 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.99 -15.04 62.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 79.12 25.97 58.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 239' ' ' THR . . . . . 0.499 HG22 HG23 ' A' ' 240' ' ' THR . 0.8 OUTLIER -89.68 -38.29 13.99 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.462 0.742 . . . . 0.0 110.353 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 240' ' ' THR . . . . . 0.499 HG23 HG22 ' A' ' 239' ' ' THR . 40.5 p -104.28 -0.7 27.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.93 141.92 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 245' ' ' GLU . 0.6 OUTLIER -74.19 172.08 12.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.417 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.625 HD13 HG12 ' A' ' 247' ' ' ILE . 2.9 tm? -69.89 -57.75 4.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.54 -28.4 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.426 ' HB2' HG22 ' A' ' 242' ' ' THR . 12.4 mt-10 -70.41 -48.81 54.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -67.33 -42.58 83.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.238 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.935 HD11 HG21 ' A' ' 180' ' ' THR . 38.8 mm -48.92 -57.35 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -61.03 -45.44 96.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.865 ' CE2' ' HE2' ' A' ' 228' ' ' MET . 0.1 OUTLIER -56.05 -31.29 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 10.5 ttm -67.32 -40.96 86.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.9 p -107.05 22.32 16.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 255' ' ' PRO . 54.1 t-80 -86.85 170.04 12.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 109.57 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 6.1 m-20 -120.78 112.0 34.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.5 Cg_endo -74.98 159.27 98.25 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.049 0.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.09 122.35 7.11 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 256' ' ' ILE . . . . . 0.52 HD13 ' CD1' ' A' ' 249' ' ' TRP . 6.8 mt -92.47 112.44 55.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.276 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.41 3.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.959 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.3 OUTLIER -64.91 -40.75 90.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.18 -40.21 98.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.46 -31.84 70.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 110.31 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.959 HD12 ' HA ' ' A' ' 258' ' ' VAL . 21.4 mt -63.31 -45.91 96.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 262' ' ' TYR . . . . . 0.67 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 34.4 t80 -73.34 -45.73 53.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.08 -37.26 69.09 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.586 1.179 . . . . 0.0 109.218 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -68.59 -34.37 75.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.591 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 52.6 m0 -62.2 -46.05 90.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 107.978 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.892 HG22 ' CD1' ' A' ' 270' ' ' LEU . 48.2 mt -56.95 -47.32 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.484 HD11 ' OG ' ' A' ' 173' ' ' SER . 0.3 OUTLIER -60.07 -32.92 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 268' ' ' LEU . . . . . 0.603 HD13 ' CD ' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -57.9 -57.77 11.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.66 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.07 -58.75 11.37 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.892 ' CD1' HG22 ' A' ' 266' ' ' ILE . 12.8 mt -43.0 -34.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.11 -47.75 78.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 269' ' ' GLY . 3.5 tttt -66.71 -38.47 86.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 270' ' ' LEU . 26.7 mt -62.28 -44.64 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 270' ' ' LEU . 97.3 t -64.38 -46.03 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.135 . . . . 0.0 109.216 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -60.89 -16.24 39.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.4 ttt -95.2 -37.9 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -95.67 16.95 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 12.3 p -72.04 152.69 92.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 104.14 1.85 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.47 1.774 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 21.1 m -152.84 -60.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.88 163.45 40.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 1.4 pt -139.69 153.3 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 4.3 tp -177.23 160.72 1.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -167.31 166.73 14.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.56 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -178.7 154.48 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.564 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -174.11 163.62 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -175.46 151.69 1.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.557 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 33.2 t60 56.9 165.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 109.59 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.627 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 52.45 176.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.25 168.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 63.03 172.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -135.66 -179.38 5.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 110.037 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.788 HG11 HG21 ' A' ' 34' ' ' ILE . 2.9 t -63.1 -49.38 83.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.621 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.7 mt -106.08 160.5 15.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.33 179.93 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.023 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.11 -57.55 19.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.155 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.12 -39.5 23.26 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -39.59 81.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.483 ' CD1' HD13 ' A' ' 31' ' ' LEU . 13.9 tp -69.92 -40.78 75.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -31.63 63.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.944 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -79.7 -42.06 25.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.851 ' CE3' HD12 ' A' ' 85' ' ' LEU . 31.5 t-105 -57.0 -62.37 1.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -56.43 -36.86 69.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -51.45 -48.43 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.944 HD12 ' O ' ' A' ' 15' ' ' LYS . 2.5 mp -56.0 143.36 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -100.58 164.05 12.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.651 HD21 ' CD1' ' A' ' 29' ' ' TYR . 15.8 mt -99.5 -148.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.45 171.92 7.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 130.15 12.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.79 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.25 -1.01 60.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.475 1.11 . . . . 0.0 110.98 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.15 -163.09 20.12 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' HB2' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -57.02 -36.72 70.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.41 0.712 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER 80.81 -3.43 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.347 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -149.23 143.5 25.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 0.0 110.346 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.738 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 1.5 m-85 -82.46 152.18 26.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -142.87 167.71 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.483 HD13 ' CD1' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -63.06 -27.47 69.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -45.84 92.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -63.18 -35.65 81.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.58 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.788 HG21 HG11 ' A' ' 7' ' ' VAL . 3.7 mt -62.88 -49.91 81.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.4 -41.4 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.442 ' CZ3' ' HA ' ' A' ' 78' ' ' LEU . 52.6 t90 -62.25 -37.67 86.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.003 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.604 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -58.83 -53.64 56.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.728 ' HA ' HD23 ' A' ' 51' ' ' LEU . 9.5 p -63.39 -34.77 78.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -60.52 -35.37 75.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 110.363 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.52 -34.33 69.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.838 ' O ' HG12 ' A' ' 46' ' ' VAL . 6.7 mt -57.81 -50.86 71.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 5.8 pt-20 -62.34 -31.72 72.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -76.23 -12.92 60.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.59 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 27.6 t80 -98.93 -0.18 42.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 76.72 25.58 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.838 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.8 p -114.95 150.51 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.84 135.12 96.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -18.89 18.33 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.521 1.801 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.52 -13.64 51.39 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.53 HD12 HG22 ' A' ' 46' ' ' VAL . 29.5 mt -71.49 -16.75 62.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.728 HD23 ' HA ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -85.76 -7.63 58.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -92.22 -21.68 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.24 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.1 p -125.43 147.58 49.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 110.42 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.57 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 15.5 t -70.11 -26.33 63.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -63.4 -50.16 70.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.718 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -67.87 -35.13 84.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.617 ' SG ' HG23 ' A' ' 82' ' ' ILE . 5.4 t -64.05 -41.82 97.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -59.84 -36.47 76.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -29.94 70.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.774 HG21 HD13 ' A' ' 82' ' ' ILE . 1.1 mp -73.9 -74.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.594 ' N ' HG22 ' A' ' 60' ' ' ILE . 13.6 tp -40.81 -36.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.88 -49.11 79.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.451 1.095 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -95.79 22.48 7.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.356 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.517 HD23 ' CD2' ' A' ' 79' ' ' TYR . 14.8 tp -109.87 -26.95 9.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.598 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 5.7 tm0? -53.3 -45.1 98.57 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.08 -40.45 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.575 1.829 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.786 ' HA ' HG22 ' A' ' 70' ' ' THR . 44.1 m -68.7 -11.59 60.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.386 1.053 . . . . 0.0 110.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.966 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.2 mt -71.21 -43.22 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -73.5 -7.26 51.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.786 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.9 t -121.49 -4.73 9.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.887 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -78.8 -97.6 0.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 11.8 p 164.15 -172.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.508 0.769 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.402 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -62.48 -43.2 99.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 8.3 pt-20 -72.64 -38.6 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.887 HD13 ' HA2' ' A' ' 71' ' ' GLY . 4.9 tt -65.84 -34.7 78.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.5 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -62.3 -49.05 77.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.66 -35.43 65.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -60.79 -47.21 87.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.966 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.6 t80 -63.43 -41.12 98.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.627 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.4 t-20 -61.67 -32.34 72.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.748 HG23 ' HH2' ' A' ' 16' ' ' TRP . 4.1 m -70.52 -47.13 61.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.404 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.774 HD13 HG21 ' A' ' 60' ' ' ILE . 72.8 mt -63.76 -42.5 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.112 . . . . 0.0 109.38 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 1.097 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -51.41 -53.47 36.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.533 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 3.8 t -58.9 -42.82 86.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.851 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.52 -40.98 75.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.405 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 31.8 t80 -59.91 -39.66 86.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.444 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -67.97 -36.98 80.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 0.0 108.301 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.9 t -66.33 -41.88 89.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 20.7 m80 -55.89 -40.12 72.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.577 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.46 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 0.4 OUTLIER -89.22 -14.86 34.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.298 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.48 39.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.46 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.3 mp -75.81 140.97 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.31 94.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.63 HG23 ' CG1' ' A' ' 19' ' ' ILE . 15.7 m -111.03 172.76 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.09 -51.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.396 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.12 170.44 11.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.627 HG22 ' CG ' ' A' ' 80' ' ' ASN . 54.1 m -60.41 -45.65 92.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -31.29 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.59 -38.62 88.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -67.69 -37.63 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.488 HD13 ' OD1' ' A' ' 80' ' ' ASN . 2.0 mp -54.43 -48.26 71.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -73.42 -40.4 64.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.216 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -63.31 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.097 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -55.28 -27.7 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.12 -54.03 49.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -46.71 89.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -51.04 59.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.16 -52.88 61.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -52.96 -43.98 66.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -61.53 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.64 -43.69 17.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -57.39 -55.51 33.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -52.08 -55.07 23.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -49.94 34.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.41 -55.48 24.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -49.79 48.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -53.01 53.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.89 -58.12 8.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -43.79 -58.67 2.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -40.7 -53.18 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -57.41 -58.16 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.6 p -67.41 101.51 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 110.449 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -86.58 58.67 4.65 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.424 1.078 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -41.53 141.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 0.818 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -124.97 167.15 15.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.07 167.56 28.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -136.7 171.49 14.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.413 HG22 ' N ' ' A' ' 129' ' ' SER . 8.0 p -161.28 166.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.413 ' N ' HG22 ' A' ' 128' ' ' VAL . 8.4 t -155.27 167.19 31.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -159.96 171.42 19.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -160.9 166.77 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.563 ' CD2' ' HD2' ' A' ' 133' ' ' PRO . 0.8 OUTLIER -131.82 155.8 80.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.563 ' HD2' ' CD2' ' A' ' 132' ' ' TYR . 18.1 Cg_endo -74.99 -179.12 4.67 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.571 1.827 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 79.6 mt -140.38 132.67 32.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.6 p -112.78 150.05 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.91 163.45 40.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -171.35 167.75 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 138' ' ' LEU . 2.1 pt? -159.13 123.77 4.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -170.85 142.28 1.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -175.63 135.25 2.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -176.03 89.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.222 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.412 ' CE ' ' HA ' ' A' ' 142' ' ' MET . 33.9 mmt -67.35 168.79 10.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.558 HG22 ' H ' ' A' ' 144' ' ' HIS . 9.8 p -168.78 172.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.558 ' H ' HG22 ' A' ' 143' ' ' VAL . 26.6 p-80 -66.79 103.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -111.46 122.97 49.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.89 174.28 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.524 HG12 HG21 ' A' ' 151' ' ' THR . 0.5 OUTLIER -84.95 143.11 12.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.03 160.69 51.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.08 14.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -65.02 -39.74 93.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.17 . . . . 0.0 110.339 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.524 HG21 HG12 ' A' ' 147' ' ' ILE . 1.0 OUTLIER -73.81 -38.29 64.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.851 HD11 HG21 ' A' ' 186' ' ' THR . 27.4 mt -65.57 -33.17 75.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -48.55 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.33 -49.15 78.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.642 ' HZ2' HG23 ' A' ' 191' ' ' VAL . 3.2 t90 -61.61 -49.69 75.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.038 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 152' ' ' LEU . 2.9 t -45.87 -44.22 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -60.22 -34.23 73.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 155' ' ' TRP . 96.9 t -72.04 -45.43 63.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.757 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 2.7 t -57.51 -44.61 85.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.613 1.196 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -36.16 68.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -55.53 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.691 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 11.3 mmtt -127.51 -52.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 159' ' ' VAL . . . 85.96 -47.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.523 ' CE2' ' HA3' ' A' ' 193' ' ' GLY . 11.8 m-85 -143.27 124.52 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.531 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER 177.99 171.38 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -19.44 17.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.545 1.813 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.07 0.05 55.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -103.72 -33.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.627 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 29.2 mm -53.09 -45.47 98.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -74.93 -37.65 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -31.72 72.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.599 ' CE2' ' SD ' ' A' ' 187' ' ' MET . 0.8 OUTLIER -64.85 -44.43 89.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.024 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 81.3 p -68.13 -31.05 70.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.72 91.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.398 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -77.22 -31.77 55.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.816 ' OG ' HD21 ' A' ' 184' ' ' LEU . 25.0 t -87.35 13.89 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.13 94.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 71.29 57.34 6.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.72 -175.82 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.896 HG21 HD11 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -120.65 -174.61 0.3 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.555 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.4 Cg_endo -74.97 -41.99 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.15 -46.45 64.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -61.43 -49.22 77.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.816 HD21 ' OG ' ' A' ' 176' ' ' SER . 70.3 mt -65.77 -32.39 73.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 185' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 2.3 m-20 -62.0 -42.61 99.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.851 HG21 HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -61.13 -39.98 92.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.394 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.611 ' O ' ' CZ2' ' A' ' 155' ' ' TRP . 1.2 ttm -69.85 -45.95 66.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.505 HD13 HD13 ' A' ' 266' ' ' ILE . 0.3 OUTLIER -81.74 6.73 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 189' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 8.4 t-20 -101.68 -46.36 4.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.465 HG22 ' CH2' ' A' ' 155' ' ' TRP . 1.6 t -97.49 7.78 45.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.85 HG11 ' CE ' ' A' ' 198' ' ' MET . 1.7 p -51.39 -175.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.666 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -154.05 79.91 0.19 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 193' ' ' GLY . . . . . 0.523 ' HA3' ' CE2' ' A' ' 164' ' ' PHE . . . -135.92 -62.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 171.78 129.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.628 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -58.0 -42.15 84.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.83 -49.38 75.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.1 79.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.85 ' CE ' HG11 ' A' ' 191' ' ' VAL . 5.7 mmt -58.03 -33.42 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -71.85 -54.53 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -58.98 -33.06 70.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.693 HD13 ' HA3' ' A' ' 269' ' ' GLY . 3.1 tp -69.68 -37.99 76.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -57.53 -39.6 76.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -40.17 88.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.38 -36.2 78.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.472 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 266' ' ' ILE . 24.5 mt -69.85 -55.33 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -57.88 -42.78 85.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 109.372 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.76 -35.7 81.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 208' ' ' GLU . . . . . 0.466 ' HG3' HD13 ' A' ' 268' ' ' LEU . 31.4 mm-40 -68.56 -27.57 66.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.824 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -69.14 -50.19 50.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.22 80.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -38.63 91.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 212' ' ' TRP . . . . . 0.412 ' CZ2' ' CE1' ' A' ' 216' ' ' HIS . 58.9 t-105 -57.89 -62.33 1.89 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.27 -33.19 65.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -30.11 68.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.576 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.7 pp -106.68 -2.51 21.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 216' ' ' HIS . . . . . 0.412 ' CE1' ' CZ2' ' A' ' 212' ' ' TRP . 0.2 OUTLIER -112.1 95.55 30.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.563 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 0.553 HG12 ' HB3' ' A' ' 230' ' ' GLU . 22.3 m -73.29 139.4 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.48 56.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.601 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -61.42 154.38 24.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -93.36 -142.83 12.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.79 2.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.451 1.764 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.885 HD13 ' O ' ' A' ' 228' ' ' MET . 15.3 tt -104.1 161.57 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.879 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -69.55 150.64 96.85 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 98.36 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.533 1.807 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 112.54 -11.89 25.72 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.879 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 0.0 OUTLIER -69.73 -56.02 8.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.885 ' O ' HD13 ' A' ' 223' ' ' ILE . 0.0 OUTLIER 176.12 -176.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 230' ' ' GLU . 1.8 ptt180 167.18 85.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.553 ' HB3' HG12 ' A' ' 218' ' ' VAL . 8.5 mm-40 36.52 89.91 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.427 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.3 Cg_endo -75.05 141.98 27.14 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 232' ' ' ARG . . . . . 0.427 ' CG ' ' OD1' ' A' ' 235' ' ' ASP . 13.8 ptt180 -85.8 171.25 11.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.824 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -46.02 -38.3 8.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 234' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 237' ' ' ALA . 57.9 m -66.96 -36.18 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 235' ' ' ASP . . . . . 0.427 ' OD1' ' CG ' ' A' ' 232' ' ' ARG . 1.7 m-20 -69.45 -48.04 62.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.429 ' HA ' ' NE2' ' A' ' 246' ' ' GLN . 12.1 mt -60.56 -18.47 16.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 237' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . . . -75.39 -20.68 58.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.595 1.184 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 97.14 17.68 31.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.29 -38.22 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 24.2 m -114.58 -0.27 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 75.5 m -134.27 145.4 49.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.595 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.4 OUTLIER -90.19 176.68 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.601 HD11 ' CD1' ' A' ' 247' ' ' ILE . 3.4 tm? -69.37 -51.62 34.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -50.8 -52.89 36.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.469 ' H ' HG22 ' A' ' 242' ' ' THR . 8.6 mt-10 -61.06 -31.08 70.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 246' ' ' GLN . . . . . 0.438 ' CD ' ' CG1' ' A' ' 258' ' ' VAL . 0.8 OUTLIER -69.18 -72.59 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.896 HD11 HG21 ' A' ' 180' ' ' THR . 0.6 OUTLIER -42.74 -33.91 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -61.84 -51.8 54.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.6 ' CD1' HD13 ' A' ' 256' ' ' ILE . 0.8 OUTLIER -65.63 -33.35 75.69 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 250' ' ' MET . . . . . 0.45 ' CE ' HG13 ' A' ' 247' ' ' ILE . 0.9 OUTLIER -57.56 -35.78 70.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.7 p -118.06 22.12 12.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 83.1 t60 -79.94 170.13 16.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.488 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 1.9 m-20 -120.57 111.52 34.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -74.94 159.46 97.96 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.029 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -75.0 124.9 8.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 256' ' ' ILE . . . . . 0.6 HD13 ' CD1' ' A' ' 249' ' ' TRP . 4.6 mt -101.53 136.42 19.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.671 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.0 Cg_endo -75.02 59.09 5.11 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.597 1.841 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 259' ' ' GLY . 2.5 t -65.2 -68.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 259' ' ' GLY . . . . . 0.469 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -63.31 -31.81 82.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.067 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.26 -36.14 76.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 257' ' ' PRO . 7.0 mt -63.65 -42.24 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 262' ' ' TYR . . . . . 0.569 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 0.4 OUTLIER -63.98 -39.36 93.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.074 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -62.34 -45.51 92.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 263' ' ' LYS . 0.2 OUTLIER -55.22 -36.47 66.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.311 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.614 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 46.5 m0 -61.95 -43.29 99.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.054 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.97 HG22 HD11 ' A' ' 270' ' ' LEU . 90.1 mt -57.81 -47.82 85.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -29.75 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 268' ' ' LEU . . . . . 0.466 HD13 ' HG3' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -57.92 -59.56 5.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.256 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.693 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.27 -58.86 10.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.97 HD11 HG22 ' A' ' 266' ' ' ILE . 11.4 mt -42.7 -35.93 1.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 0.737 . . . . 0.0 109.329 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.29 -47.35 82.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 269' ' ' GLY . 7.3 tptt -66.12 -37.56 86.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 0.902 HD12 ' HA ' ' A' ' 270' ' ' LEU . 16.4 mt -62.39 -46.07 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 270' ' ' LEU . 74.1 t -62.98 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -63.71 -16.33 60.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -92.21 -38.01 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 277' ' ' TYR . 16.3 t80 -97.48 15.48 23.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.6 151.44 52.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.2 4.77 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.538 1.81 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 15.0 t -138.77 156.54 47.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.358 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 65.4 p -132.24 170.48 14.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.96 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -82.4 138.54 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 1.2 tt -176.04 130.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -178.26 167.04 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.551 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -151.22 174.09 13.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.653 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -141.14 160.25 40.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.609 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -177.85 156.37 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.619 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.0 168.02 20.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.581 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.623 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.2 158.77 18.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 0.808 . . . . 0.0 109.274 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.94 56.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -170.82 176.02 4.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.42 58.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.907 HG11 HG21 ' A' ' 34' ' ' ILE . 2.9 t -114.61 -64.7 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.605 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 10.7 mt -98.35 151.55 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.81 179.74 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.72 -57.67 18.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -41.07 27.37 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.49 -39.54 84.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.236 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.622 ' CD1' HD11 ' A' ' 31' ' ' LEU . 7.2 tp -66.87 -41.23 87.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 37.0 t0 -55.84 -32.04 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -44.92 35.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.758 ' CE3' HD12 ' A' ' 85' ' ' LEU . 53.3 t-105 -56.58 -61.38 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.91 -21.76 45.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 7.5 tttt -90.52 40.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.891 HD13 HG13 ' A' ' 84' ' ' VAL . 56.8 mt -141.46 145.88 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -91.19 150.4 21.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.816 HD23 ' H ' ' A' ' 21' ' ' LEU . 1.3 pt? -112.03 -125.86 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.573 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -176.65 -58.17 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.226 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.573 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.94 129.96 12.89 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.422 1.748 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.22 -1.63 59.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . 153.0 -128.03 2.35 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.77 36.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 16.7 tttt -104.1 -121.51 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.688 ' C ' HD22 ' A' ' 21' ' ' LEU . 6.1 pt20 -129.0 158.41 38.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 16' ' ' TRP . 3.1 m-85 -73.64 156.03 38.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.442 1.089 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -130.57 173.96 10.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.622 HD11 ' CD1' ' A' ' 13' ' ' LEU . 2.6 mm? -61.04 -28.04 68.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.61 -45.55 93.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -62.93 -35.68 80.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.574 1.171 . . . . 0.0 109.594 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.907 HG21 HG11 ' A' ' 7' ' ' VAL . 3.5 mt -62.56 -49.53 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -51.46 -43.3 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.409 ' CZ2' ' OE2' ' A' ' 40' ' ' GLU . 61.6 t90 -62.7 -40.72 98.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.816 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.1 -53.0 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.204 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.782 ' HA ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -61.33 -35.58 77.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.41 1.069 . . . . 0.0 109.977 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -41.08 95.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.409 ' OE2' ' CZ2' ' A' ' 36' ' ' TRP . 1.6 mt-10 -63.11 -37.5 87.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 38' ' ' SER . 17.8 mt -61.25 -45.09 95.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -56.89 -35.58 69.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -24.71 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.596 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.8 OUTLIER -75.98 -3.95 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 111.043 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 77.62 22.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.63 HG22 HD12 ' A' ' 50' ' ' LEU . 5.0 p -116.59 147.42 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.95 138.13 97.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -18.69 18.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.11 -12.18 54.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.434 1.084 . . . . 0.0 111.006 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.63 HD12 HG22 ' A' ' 46' ' ' VAL . 23.5 mt -76.36 -17.56 59.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.796 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.737 HD13 HD11 ' A' ' 41' ' ' LEU . 8.1 tp -90.71 -4.79 56.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.03 -22.09 27.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.85 160.82 28.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.482 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.513 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 4.9 t -69.89 -32.6 71.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 110.034 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.13 -49.76 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.615 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -61.61 -41.54 99.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.709 ' SG ' HD12 ' A' ' 51' ' ' LEU . 1.3 m -64.08 -41.91 97.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -59.95 -41.74 92.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -38.86 91.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.382 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.713 HG12 HD22 ' A' ' 41' ' ' LEU . 1.1 mp -71.97 -73.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.585 HD11 ' CE1' ' A' ' 79' ' ' TYR . 11.6 tp -41.61 -37.62 1.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.23 -48.99 83.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.02 22.97 8.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD23 ' CD2' ' A' ' 79' ' ' TYR . 14.2 tp -108.71 -25.49 10.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.598 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 tm0? -53.51 -45.57 98.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.99 -39.93 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.809 ' HA ' HG22 ' A' ' 70' ' ' THR . 36.8 m -68.65 -12.06 60.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.029 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.938 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.7 mt -71.22 -43.74 66.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -7.0 51.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.809 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.9 t -119.97 -5.15 10.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.418 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.6 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.42 -99.04 0.4 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.3 p 168.37 -176.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -41.08 96.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -71.23 -46.91 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.6 HD13 ' CA ' ' A' ' 71' ' ' GLY . 8.4 tt -60.68 -34.14 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.543 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.37 -43.4 98.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.9 t -62.09 -30.73 71.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -65.75 -47.17 76.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.938 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.7 t80 -58.87 -42.87 90.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -57.02 -37.75 72.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.816 HG21 ' HB2' ' A' ' 37' ' ' ALA . 79.5 m -60.18 -48.0 83.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mt -67.05 -37.9 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.908 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -57.28 -58.52 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 109.358 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.891 HG13 HD13 ' A' ' 19' ' ' ILE . 3.2 t -58.23 -42.3 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.758 HD12 ' CE3' ' A' ' 16' ' ' TRP . 2.5 mp -56.98 -36.12 69.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -60.16 -53.26 59.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 111.054 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -33.11 72.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.0 t -66.16 -38.55 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.513 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 0.7 OUTLIER -57.82 -40.18 79.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.448 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 1.9 mm-40 -91.41 -8.45 47.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 64.27 43.32 4.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.448 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.2 mp -75.92 141.43 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -62.95 95.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.2 m -117.1 174.01 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 3.3 tttp -140.26 -58.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.475 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 3.6 p-10 -121.96 170.7 9.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.53 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 2.4 m -60.35 -44.41 95.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.433 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.475 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 0.3 OUTLIER -57.13 -32.95 66.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.45 -33.09 73.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.338 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.857 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -71.0 -39.73 72.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.64 -47.54 79.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.71 -41.22 65.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -63.03 -62.12 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.908 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.9 pt -55.83 -27.97 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.55 -54.0 51.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.38 -48.92 79.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -51.98 -51.03 59.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -55.39 -52.92 61.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -52.97 -43.89 66.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -58.89 -55.96 28.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.87 -50.31 46.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.936 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -50.99 -53.11 36.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.346 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.426 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -54.28 -49.55 69.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 0.8 OUTLIER -60.63 -18.12 51.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 112' ' ' LYS . . . -85.23 -67.08 0.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 113' ' ' LYS . 20.6 pt20 -47.13 -41.81 18.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.231 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -70.17 -37.75 75.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.692 ' O ' HG23 ' A' ' 122' ' ' THR . . . -63.09 -39.61 95.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.71 -43.11 99.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.217 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.53 3.09 42.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.37 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -96.64 -42.43 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 118' ' ' ALA . 75.3 p -38.63 154.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 105.32 -150.14 16.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 59.45 92.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.443 0.731 . . . . 0.0 109.265 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 19.0 t30 62.72 92.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.85 169.87 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -149.52 156.85 42.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.7 p -162.34 149.08 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.36 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.9 p -163.48 168.33 20.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.49 165.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 64.0 t30 177.59 166.28 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.527 ' CD2' ' HD2' ' A' ' 133' ' ' PRO . 0.2 OUTLIER -146.47 155.82 49.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.527 ' HD2' ' CD2' ' A' ' 132' ' ' TYR . 18.3 Cg_endo -75.0 -179.25 4.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.578 1.831 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.0 tp -173.87 149.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 135' ' ' VAL . 9.4 p -129.27 114.77 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -178.74 148.89 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -166.52 110.58 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.58 104.87 0.2 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.438 ' OE1' ' NE2' ' A' ' 141' ' ' GLN . 1.1 mt-30 -148.07 171.43 15.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -119.88 74.44 0.32 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.438 ' NE2' ' OE1' ' A' ' 139' ' ' GLN . 0.0 OUTLIER -89.6 167.18 13.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 110.261 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 85.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.9 t -140.88 134.0 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.611 ' CG ' HG21 ' A' ' 247' ' ' ILE . 22.3 m80 -83.33 143.25 30.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.581 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -81.29 148.13 29.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.48 -170.15 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.692 ' CG2' HG21 ' A' ' 186' ' ' THR . 1.4 tt -77.65 144.01 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.0 163.36 46.22 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -24.68 12.52 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.448 1.762 . . . . 0.0 111.054 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -61.13 -45.12 95.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.519 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -70.14 -40.27 74.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.991 HD21 HG22 ' A' ' 186' ' ' THR . 23.7 mt -62.72 -33.97 76.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.32 -39.66 92.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.73 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -64.75 -46.44 82.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.524 ' CH2' ' CD2' ' A' ' 172' ' ' PHE . 1.3 t-105 -61.43 -48.62 80.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 108.007 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 152' ' ' LEU . 53.3 t -47.25 -41.78 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -70.51 -32.13 69.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 154' ' ' ALA . 89.5 t -66.15 -45.11 91.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.596 HG21 ' HA ' ' A' ' 191' ' ' VAL . 16.9 t -70.18 -46.41 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -16.53 64.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.262 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -82.94 -51.39 7.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.713 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -124.49 -52.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.36 -48.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 164' ' ' PHE . 17.8 p90 -150.01 113.26 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.485 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -170.76 171.17 2.73 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.969 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -18.65 18.51 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.06 1.61 55.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.954 HG22 ' CE1' ' A' ' 172' ' ' PHE . 0.3 OUTLIER -104.6 -34.19 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.639 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.0 mm -55.64 -44.79 99.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.03 -37.71 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -34.94 77.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.954 ' CE1' HG22 ' A' ' 168' ' ' VAL . 5.4 m-30 -64.87 -42.71 94.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.05 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.5 p -70.88 -31.06 67.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.999 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.47 93.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.46 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -75.3 -29.75 60.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.927 ' OG ' HD21 ' A' ' 184' ' ' LEU . 16.0 t -87.76 14.24 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.979 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -44.92 98.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 60.76 59.01 10.93 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.06 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -100.36 -177.82 3.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 0.726 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.736 HG21 HD11 ' A' ' 247' ' ' ILE . 0.2 OUTLIER -110.31 -173.89 0.28 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.5 Cg_endo -74.93 -41.81 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.441 1.758 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -70.15 -64.75 0.83 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -43.57 -39.21 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.927 HD21 ' OG ' ' A' ' 176' ' ' SER . 23.0 mt -66.88 -48.93 67.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -54.75 -36.18 64.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.991 HG22 HD21 ' A' ' 152' ' ' LEU . 0.7 OUTLIER -61.17 -44.23 97.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 110.358 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.505 ' HG2' ' CD2' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -62.58 -45.72 91.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.462 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 2.7 mp -56.65 -25.85 54.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -72.51 -47.7 46.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.493 ' HB ' HG22 ' A' ' 156' ' ' VAL . 0.9 OUTLIER -64.82 -9.97 24.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.596 ' HA ' HG21 ' A' ' 159' ' ' VAL . 0.7 OUTLIER -54.23 -168.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.579 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -84.37 22.98 7.71 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 193' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 191' ' ' VAL . . . 57.97 27.94 60.23 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 197' ' ' ALA . 30.4 m-70 -69.52 74.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.625 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.53 -43.29 84.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.39 75.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 194' ' ' HIS . . . -60.87 -48.7 80.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.462 ' CE ' ' HG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -57.99 -32.97 68.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.15 -55.13 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 31.4 mtm -61.82 -46.52 89.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.634 HD13 ' HA3' ' A' ' 269' ' ' GLY . 1.9 tp -62.8 -35.86 81.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -56.03 -40.64 73.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 203' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 1.7 tt0 -66.79 -37.15 84.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.6 -37.68 73.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.609 HG23 ' HE3' ' A' ' 265' ' ' TRP . 6.3 mt -70.34 -56.58 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.94 -42.98 86.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 48.4 tt0 -68.59 -29.3 67.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.21 -35.24 79.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.473 ' HB1' ' HA3' ' A' ' 233' ' ' GLY . . . -72.74 -50.11 26.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.604 1.19 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.12 75.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -69.08 -34.59 75.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 212' ' ' TRP . . . . . 0.565 ' CE3' HD11 ' A' ' 215' ' ' LEU . 26.5 t-105 -60.45 -65.2 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.037 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -56.3 -33.21 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.237 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -58.91 -34.7 71.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.0 pp -106.74 -3.28 20.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.332 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 216' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 212' ' ' TRP . 2.4 t60 -113.05 93.19 24.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.622 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 114.19 3.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.546 1.814 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 0.709 ' O ' HG12 ' A' ' 218' ' ' VAL . 69.0 t -103.33 47.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 48.0 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -105.0 147.51 27.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 221' ' ' GLY . . . . . 0.404 ' HA2' ' HD3' ' A' ' 222' ' ' PRO . . . 109.64 139.43 8.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 222' ' ' PRO . . . . . 0.404 ' HD3' ' HA2' ' A' ' 221' ' ' GLY . 18.4 Cg_endo -74.95 142.93 28.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.572 1.827 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.917 HD13 ' HA ' ' A' ' 228' ' ' MET . 1.3 pp -64.5 -176.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 223' ' ' ILE . . . -95.7 157.77 35.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.97 2.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 97.42 -22.32 41.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.155 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.657 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 9.4 mm100 -106.94 60.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.374 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.917 ' HA ' HD13 ' A' ' 223' ' ' ILE . 0.0 OUTLIER -55.56 90.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 104.74 17.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.5 ' HB3' HG13 ' A' ' 218' ' ' VAL . 0.1 OUTLIER 71.83 67.74 0.34 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.473 ' CB ' ' CB ' ' A' ' 235' ' ' ASP . 18.2 Cg_endo -75.08 134.12 17.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 232' ' ' ARG . . . . . 0.631 ' HG3' HG21 ' A' ' 218' ' ' VAL . 2.7 mpp_? -87.0 -172.49 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.473 ' HA3' ' HB1' ' A' ' 209' ' ' ALA . . . -52.78 -38.48 53.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 234' ' ' SER . . . . . 0.774 ' O ' HG22 ' A' ' 239' ' ' THR . 0.3 OUTLIER -65.29 -47.58 76.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.946 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 235' ' ' ASP . . . . . 0.473 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.3 m-20 -59.61 -43.68 93.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.625 1.203 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 232' ' ' ARG . 4.0 mt -60.39 -24.29 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 237' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -72.44 -22.92 61.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 100.44 16.89 25.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 239' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 234' ' ' SER . 10.2 t -82.56 -37.58 24.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 1.3 m -110.28 -2.94 16.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 3.3 t -136.56 147.85 47.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.93 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.404 HG22 ' CG ' ' A' ' 245' ' ' GLU . 1.8 t -93.6 -177.99 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.449 HD22 HD12 ' A' ' 247' ' ' ILE . 3.0 tm? -69.79 -56.0 8.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -47.1 -49.91 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.453 ' HB3' ' CE ' ' A' ' 228' ' ' MET . 22.5 mt-10 -65.35 -31.37 72.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 246' ' ' GLN . . . . . 0.482 ' HG3' ' CG1' ' A' ' 258' ' ' VAL . 1.3 tp-100 -62.71 -63.89 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.736 HD11 HG21 ' A' ' 180' ' ' THR . 1.0 OUTLIER -53.24 -41.22 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.22 -42.92 98.88 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.507 1.129 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.585 ' CZ2' ' HG3' ' A' ' 228' ' ' MET . 0.6 OUTLIER -65.05 -35.54 81.51 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 26.5 mtm -66.11 -28.24 68.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 73.8 p -118.45 21.93 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.544 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 64.6 t60 -88.9 169.45 11.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.649 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.544 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 5.1 m-80 -120.28 112.01 34.79 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.98 159.57 97.81 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.054 -2.478 . . . . 0.0 111.067 0.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -75.0 119.67 5.75 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.543 1.812 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 4.0 mt -95.83 122.74 57.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.706 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.4 Cg_endo -74.98 53.92 3.47 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.408 1.741 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 259' ' ' GLY . 0.3 OUTLIER -65.97 -50.5 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 259' ' ' GLY . . . . . 0.514 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -66.67 -38.57 93.31 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -69.44 -31.92 70.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 257' ' ' PRO . 7.1 mt -63.13 -43.52 98.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 262' ' ' TYR . . . . . 0.544 ' CD2' ' HB3' ' A' ' 181' ' ' PRO . 0.2 OUTLIER -64.22 -44.13 92.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.614 ' HB2' HD11 ' A' ' 184' ' ' LEU . 0.3 OUTLIER -60.92 -43.47 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -34.51 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.609 ' HE3' HG23 ' A' ' 205' ' ' ILE . 43.2 m0 -66.22 -43.04 87.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 108.017 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.954 HG22 HD11 ' A' ' 270' ' ' LEU . 66.7 mt -57.36 -47.97 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.586 HG13 HG23 ' A' ' 169' ' ' ILE . 1.2 mp -60.59 -30.45 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -59.96 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.634 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.09 -57.8 15.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.954 HD11 HG22 ' A' ' 266' ' ' ILE . 13.3 mt -42.48 -36.31 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -47.8 79.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 269' ' ' GLY . 15.4 tttp -64.23 -43.29 95.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 270' ' ' LEU . 9.2 mt -58.94 -43.69 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 270' ' ' LEU . 22.6 t -64.87 -46.0 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -16.35 20.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -96.94 -37.92 10.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.586 1.179 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.54 17.81 12.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.08 154.99 92.22 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 23.9 m -124.43 141.97 51.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.366 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 50.4 p -135.23 164.56 27.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.047 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.67 153.2 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.614 1.196 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.43 141.4 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -99.16 170.84 8.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.616 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -153.44 170.7 20.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 67.99 113.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.62 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.51 152.14 51.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.624 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 74.75 -63.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.646 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.596 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.06 128.92 8.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? 62.64 103.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -102.13 72.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -144.8 -179.42 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.997 HG11 HG21 ' A' ' 34' ' ' ILE . 8.5 t -62.98 -48.86 86.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.618 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 14.4 mt -108.66 150.03 28.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.65 179.44 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.53 -58.24 15.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.8 -41.23 29.07 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.853 ' OE1' HG12 ' A' ' 88' ' ' VAL . 4.5 mm-40 -59.62 -35.15 73.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.836 HD21 HD21 ' A' ' 31' ' ' LEU . 3.9 tp -72.77 -34.37 66.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.96 -31.73 67.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' HB3' HG22 ' A' ' 88' ' ' VAL . 1.9 mmtp -77.14 -46.07 24.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.842 ' CE3' HD12 ' A' ' 85' ' ' LEU . 64.1 t-105 -58.37 -38.27 76.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.055 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -71.5 -25.59 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' O ' HD13 ' A' ' 19' ' ' ILE . 2.6 tttp -87.63 47.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.516 HG21 HG11 ' A' ' 84' ' ' VAL . 2.3 mm -132.59 133.82 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -95.71 141.01 29.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 21' ' ' LEU . 3.0 mt -85.99 -126.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.491 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 170.11 -54.58 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.99 124.83 8.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.46 -0.93 61.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.33 -109.87 0.64 Allowed Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.41 62.97 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 0.76 . . . . 0.0 109.241 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -92.49 -170.75 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 3.4 pm0 -120.44 143.52 48.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CG ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -53.06 148.97 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.194 . . . . 0.0 111.019 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -138.2 171.0 15.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.836 HD21 HD21 ' A' ' 13' ' ' LEU . 2.1 mm? -62.05 -26.5 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -61.7 -43.07 99.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -65.81 -35.95 82.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.997 HG21 HG11 ' A' ' 7' ' ' VAL . 5.0 mt -64.11 -50.57 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -51.21 -44.42 29.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -62.67 -39.83 95.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.632 1.207 . . . . 0.0 107.958 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.514 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.44 -50.28 74.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -34.74 78.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.085 . . . . 0.0 109.973 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -41.25 94.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -34.9 79.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.959 ' O ' HG12 ' A' ' 46' ' ' VAL . 76.5 mt -60.95 -47.79 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.218 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -39.71 75.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.441 1.088 . . . . 0.0 110.245 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.3 -37.95 76.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.556 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 19.9 t80 -76.02 -4.4 41.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 74.53 44.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.358 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.959 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.9 p -124.88 150.07 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.18 132.25 95.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -18.84 18.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.537 1.809 . . . . 0.0 111.052 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.34 -11.48 56.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.411 HD12 HG22 ' A' ' 46' ' ' VAL . 27.3 mt -72.53 -32.53 66.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.665 HD11 HD22 ' A' ' 85' ' ' LEU . 10.2 tp -78.88 -16.59 56.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.96 -22.03 58.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.0 p -125.85 157.32 37.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.416 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.471 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 6.9 t -70.12 -30.77 68.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.07 -45.38 93.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.643 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -68.43 -36.66 84.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.576 ' SG ' HD12 ' A' ' 51' ' ' LEU . 1.8 m -63.8 -41.45 97.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -41.3 91.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -36.36 83.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.778 HG21 HD13 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -71.99 -73.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.228 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -45.45 -32.94 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.368 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.24 -49.01 78.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -98.32 22.05 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.37 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 78' ' ' LEU . 14.1 tp -110.38 -23.87 10.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.603 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 7.9 tm0? -53.95 -45.18 99.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.324 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.96 -39.86 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.781 ' HA ' HG22 ' A' ' 70' ' ' THR . 48.8 m -67.93 -11.17 58.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.876 HD11 ' CG ' ' A' ' 79' ' ' TYR . 9.1 mt -68.78 -46.36 68.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -75.81 -6.73 52.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.781 HG22 ' HA ' ' A' ' 67' ' ' SER . 1.2 t -114.86 -7.68 12.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 110.483 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.618 ' HA3' HD12 ' A' ' 75' ' ' LEU . . . -83.51 -99.45 0.56 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.427 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.7 p 167.18 -173.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.72 -41.98 96.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -72.04 -47.5 51.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.651 ' C ' HD13 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -59.31 -33.51 71.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.504 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 1.8 ttp180 -62.56 -45.24 93.84 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.57 1.169 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -31.98 67.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.614 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -65.17 -47.09 78.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.394 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.876 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.1 t80 -64.75 -43.43 93.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.758 ' OD1' HD13 ' A' ' 101' ' ' LEU . 1.5 t-20 -57.51 -30.66 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.528 HG23 ' CH2' ' A' ' 16' ' ' TRP . 75.4 m -69.41 -48.13 61.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.364 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.778 HD13 HG21 ' A' ' 60' ' ' ILE . 10.6 mt -65.76 -34.7 72.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.907 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -55.28 -58.77 6.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.578 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.6 t -58.17 -41.07 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.842 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.64 -39.05 73.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.367 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -61.72 -52.45 64.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.609 ' SG ' HG22 ' A' ' 104' ' ' ILE . 0.7 OUTLIER -59.02 -35.46 73.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 108.3 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.853 HG12 ' OE1' ' A' ' 12' ' ' GLU . 4.3 t -63.33 -40.44 89.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.471 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 21.3 m80 -56.31 -40.27 74.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.54 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.456 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 6.3 mm-40 -91.16 -9.2 46.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.358 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 64.89 43.75 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.456 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.0 mp -76.04 141.45 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.74 92.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.8 m -111.38 173.42 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -137.25 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -123.01 171.3 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.693 HG22 ' CG ' ' A' ' 80' ' ' ASN . 57.9 m -58.86 -48.7 80.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -32.11 67.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -68.61 -34.46 75.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.872 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -71.17 -38.52 72.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.758 HD13 ' OD1' ' A' ' 80' ' ' ASN . 0.5 OUTLIER -56.2 -52.09 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -70.57 -41.05 72.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -61.25 -61.83 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.907 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 2.3 pt -56.14 -27.71 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -56.16 -53.82 52.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.53 -46.71 88.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -51.05 59.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -52.93 61.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 0.0 110.341 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -52.96 -43.8 66.63 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -58.98 -56.05 27.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.78 -50.6 44.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.27 -54.32 32.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -51.13 -53.76 31.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -50.7 41.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.03 28.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -49.67 -49.8 45.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.596 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 2.0 mm100 -55.51 -51.56 66.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.08 -55.88 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.0 -22.87 61.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -75.89 -21.4 57.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -94.31 -52.82 4.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.0 m 57.02 160.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 110.422 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -90.68 57.82 3.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.602 1.189 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -175.04 94.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.271 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 174.5 154.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.79 136.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -178.95 133.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.3 p -173.92 142.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.84 128.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 0.0 109.981 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.15 128.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 178.71 140.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -174.5 93.48 0.31 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 153.27 41.22 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.575 1.829 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 15.8 pt -141.18 171.47 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 66.1 t 63.25 95.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.606 1.191 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.76 95.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.2 p30 176.84 160.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.67 ' C ' HD22 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -175.13 157.17 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.627 ' N ' HD22 ' A' ' 138' ' ' LEU . 0.1 OUTLIER -165.89 170.36 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -140.6 145.65 16.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -173.77 170.85 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.4 ptp -58.48 165.83 1.99 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 143' ' ' VAL . 35.4 m -152.0 111.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.564 ' HB2' HG21 ' A' ' 247' ' ' ILE . 49.1 t60 -71.01 142.66 50.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.569 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -82.07 148.09 28.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.603 1.19 . . . . 0.0 110.239 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.58 -175.91 2.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.596 HG12 HG21 ' A' ' 151' ' ' THR . 2.2 tt -81.81 143.86 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.32 164.56 40.34 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -25.09 12.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -64.52 -36.98 85.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.596 HG21 HG12 ' A' ' 147' ' ' ILE . 0.4 OUTLIER -71.43 -44.42 64.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.899 ' O ' HG23 ' A' ' 156' ' ' VAL . 18.9 mt -58.73 -41.19 85.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -68.24 -36.43 79.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.48 73.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.61 ' CE2' HG23 ' A' ' 159' ' ' VAL . 25.9 t-105 -62.76 -48.57 78.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 107.965 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 152' ' ' LEU . 41.4 t -44.87 -43.13 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -38.73 92.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.403 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 155' ' ' TRP . 71.8 t -63.97 -45.16 97.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.68 HG11 ' N ' ' A' ' 192' ' ' GLY . 22.7 t -64.04 -42.32 95.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -64.93 -38.03 89.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -57.88 10.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.749 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -160.69 64.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.649 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -35.98 -46.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.45 ' O ' ' CD2' ' A' ' 164' ' ' PHE . 20.1 p90 -113.69 105.55 13.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.636 ' N ' HG22 ' A' ' 274' ' ' VAL . 1.4 p -174.06 164.69 2.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.32 18.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.12 3.52 51.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.749 HG21 ' O ' ' A' ' 162' ' ' LYS . 0.3 OUTLIER -106.18 -33.37 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 4.9 mm -60.21 -43.59 94.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.03 -36.0 2.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.438 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 5.8 mmm -61.85 -42.09 98.62 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.576 1.172 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.615 ' HE2' HD12 ' A' ' 267' ' ' ILE . 1.5 t80 -57.48 -44.45 84.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 53.2 p -59.84 -34.68 73.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 171' ' ' MET . . . -59.76 -45.85 90.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.354 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.32 -21.0 54.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.6 p -87.83 13.74 10.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.74 102.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.356 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 42.29 70.96 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.531 ' HB3' HD21 ' A' ' 184' ' ' LEU . . . -103.66 -175.46 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.999 HG21 HD11 ' A' ' 247' ' ' ILE . 1.3 p -117.65 -176.92 0.41 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.653 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.3 Cg_endo -75.06 -44.27 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -69.88 -51.77 30.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.36 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.99 -48.97 72.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 179' ' ' ALA . 82.4 mt -66.49 -39.89 88.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.58 1.175 . . . . 0.0 109.226 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -54.98 -33.43 62.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.795 ' CG2' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -73.31 -37.46 66.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 1.0 OUTLIER -61.47 -43.4 98.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.959 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.667 HD11 HG12 ' A' ' 266' ' ' ILE . 53.3 mt -84.41 -24.08 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -53.6 -43.27 68.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 191' ' ' VAL . 9.9 t -95.75 -56.23 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.382 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.896 HG21 ' CE ' ' A' ' 198' ' ' MET . 0.3 OUTLIER 39.79 -163.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.732 ' N ' HG13 ' A' ' 191' ' ' VAL . . . -178.25 40.53 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 193' ' ' GLY . . . . . 0.456 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -120.76 30.03 5.65 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 1.3 t60 84.55 131.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 0.795 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -37.73 80.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.52 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.473 ' HA ' ' CE ' ' A' ' 200' ' ' MET . . . -58.69 -49.76 76.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.896 ' CE ' HG21 ' A' ' 191' ' ' VAL . 0.3 OUTLIER -59.84 -33.04 71.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 0.0 111.025 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.31 -54.9 29.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 197' ' ' ALA . 3.5 ptp -63.26 -28.34 69.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.81 ' HB2' HD11 ' A' ' 273' ' ' ILE . 3.2 tp -71.77 -43.11 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -61.76 -32.58 72.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -46.5 73.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.341 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.76 -40.16 84.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.805 HD11 ' HA ' ' A' ' 266' ' ' ILE . 13.6 mt -64.43 -55.35 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -58.99 -42.04 89.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.71 -29.47 70.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 208' ' ' GLU . . . . . 0.661 ' HG3' HD13 ' A' ' 268' ' ' LEU . 2.8 mm-40 -62.41 -42.6 99.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.236 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.475 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -65.38 -47.76 75.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.97 74.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 21.6 t-105 -61.12 -51.56 68.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -38.07 73.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -59.65 -41.58 90.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 1.8 mt -83.69 -0.85 52.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 216' ' ' HIS . . . . . 0.647 ' CD2' ' NH2' ' A' ' 232' ' ' ARG . 0.3 OUTLIER -111.91 96.25 32.77 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.573 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 82.29 2.04 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.502 1.79 . . . . 0.0 111.026 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 0.578 HG21 ' HD3' ' A' ' 232' ' ' ARG . 26.9 m -119.34 107.43 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.57 168.89 24.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.612 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . 60.22 152.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 91.07 110.4 1.58 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 82.19 2.06 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.446 ' CG2' ' HD3' ' A' ' 229' ' ' ARG . 4.3 pt -47.21 172.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.692 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -72.05 160.01 83.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 102.75 1.62 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.586 1.835 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 103.47 -17.19 51.26 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.568 1.167 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.692 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 0.7 OUTLIER -50.09 126.23 14.03 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.516 0.774 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.568 ' HB3' ' CZ2' ' A' ' 249' ' ' TRP . 2.7 ttp -91.63 57.61 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 0.446 ' HD3' ' CG2' ' A' ' 223' ' ' ILE . 2.6 ttt85 -50.18 -179.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 229' ' ' ARG . 1.2 mt-10 -36.02 97.23 0.12 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.233 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 229' ' ' ARG . 18.4 Cg_endo -74.97 120.07 5.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.491 1.784 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 232' ' ' ARG . . . . . 0.647 ' NH2' ' CD2' ' A' ' 216' ' ' HIS . 0.1 OUTLIER -85.75 174.37 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.516 ' HA2' ' CZ2' ' A' ' 265' ' ' TRP . . . -37.06 -38.7 0.36 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 234' ' ' SER . . . . . 0.577 ' O ' ' HB3' ' A' ' 237' ' ' ALA . 0.6 OUTLIER -62.38 -52.3 64.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 110.049 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 235' ' ' ASP . . . . . 0.433 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.0 OUTLIER -61.76 -48.37 81.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.866 HG12 HG22 ' A' ' 258' ' ' VAL . 20.2 mt -61.79 -14.67 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 237' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -83.2 -22.79 33.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 98.02 18.59 26.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 2.2 t -89.12 -37.68 14.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.395 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 23.9 m -105.86 -0.3 25.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 241' ' ' SER . . . . . 0.469 ' HG ' ' HB3' ' A' ' 245' ' ' GLU . 14.3 t -144.1 155.65 44.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.56 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -96.14 174.79 6.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.631 HD22 HD12 ' A' ' 247' ' ' ILE . 3.1 tm? -59.38 -54.7 43.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -52.14 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.469 ' HB3' ' HG ' ' A' ' 241' ' ' SER . 0.3 OUTLIER -61.26 -32.4 72.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.11 -69.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.999 HD11 HG21 ' A' ' 180' ' ' THR . 0.7 OUTLIER -46.68 -38.57 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.24 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.59 -51.95 55.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.568 ' CZ2' ' HB3' ' A' ' 228' ' ' MET . 0.8 OUTLIER -63.44 -31.41 72.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 7.7 mtm -66.02 -30.51 71.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.8 p -116.87 22.18 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 255' ' ' PRO . 53.9 t-80 -84.41 172.4 11.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.574 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 9.4 m120 -120.37 112.79 34.11 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.108 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.5 Cg_endo -74.98 159.2 98.36 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.043 -0.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -74.94 121.2 6.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.558 1.82 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 256' ' ' ILE . . . . . 0.464 HG22 HG23 ' A' ' 258' ' ' VAL . 7.6 mt -88.17 132.94 38.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.546 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.1 Cg_endo -75.03 55.58 4.0 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.866 HG22 HG12 ' A' ' 236' ' ' ILE . 2.2 t -64.45 -62.77 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 259' ' ' GLY . . . . . 0.421 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.03 -35.95 91.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -32.37 71.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.572 HG22 ' CZ2' ' A' ' 265' ' ' TRP . 8.7 mt -71.51 -45.81 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 262' ' ' TYR . . . . . 0.653 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 0.9 OUTLIER -63.83 -48.1 78.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -55.96 -31.56 63.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -68.0 -35.11 77.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.572 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 36.4 m0 -61.99 -47.31 85.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 108.008 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.927 HG22 HD11 ' A' ' 270' ' ' LEU . 58.4 mt -57.1 -46.68 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.615 HD12 ' HE2' ' A' ' 172' ' ' PHE . 0.2 OUTLIER -60.14 -31.15 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 268' ' ' LEU . . . . . 0.661 HD13 ' HG3' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -60.77 -56.58 19.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.667 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.49 -57.42 16.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.927 HD11 HG22 ' A' ' 266' ' ' ILE . 12.5 mt -44.48 -35.42 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -62.88 -45.06 94.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 269' ' ' GLY . 1.3 ttmp? -69.01 -37.47 78.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.403 1.064 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 0.81 HD11 ' HB2' ' A' ' 201' ' ' LEU . 48.8 mt -62.29 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.357 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.636 HG22 ' N ' ' A' ' 165' ' ' SER . 55.1 t -71.21 -37.01 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -68.46 -16.26 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -37.79 18.19 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.88 15.2 29.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 77.9 p -71.93 113.76 23.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 68.6 p 39.16 81.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 3.9 m -103.88 -58.52 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.07 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 282' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 282' ' ' ILE . 62.2 mt 46.35 69.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.09 161.97 10.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 284' ' ' HIS . . . . . 0.442 ' O ' ' CG ' ' A' ' 284' ' ' HIS . 0.1 OUTLIER -155.04 117.17 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.643 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.3 146.05 8.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.414 1.071 . . . . 0.0 109.61 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.59 123.35 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.591 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -178.27 147.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.594 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -113.29 173.76 6.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.102 . . . . 0.0 109.571 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.66 -61.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 0.729 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.62 85.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.231 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.0 -61.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -142.54 -179.6 6.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.943 HG11 ' CG2' ' A' ' 34' ' ' ILE . 4.7 t -63.08 -48.73 86.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.608 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.4 mt -106.26 158.31 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.92 -179.87 7.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.0 -57.72 18.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.72 -39.37 21.32 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' A' ' 89' ' ' HIS . 1.3 mt-10 -58.87 -40.93 85.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 0.77 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.597 HD11 HD13 ' A' ' 31' ' ' LEU . 6.1 tp -70.27 -35.47 73.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -33.89 76.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.42 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -76.15 -45.85 31.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.276 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.841 ' CE3' HD12 ' A' ' 85' ' ' LEU . 12.9 t-105 -56.64 -51.96 66.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.038 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.64 -24.71 65.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -13.53 60.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.454 HG13 ' CG1' ' A' ' 84' ' ' VAL . 25.9 mm -65.73 142.3 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.533 ' C ' HD23 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -106.16 149.95 26.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.533 HD23 ' C ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -139.68 -159.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.595 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.6 OUTLIER -175.81 -59.37 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.595 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.97 122.75 7.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.79 10.29 12.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.35 -175.03 15.41 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -115.94 14.29 16.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER 89.96 0.31 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.483 ' O ' HD11 ' A' ' 21' ' ' LEU . 23.3 tt0 -155.01 144.94 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.343 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -90.92 150.23 21.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 111.017 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -142.31 174.57 10.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.597 HD13 HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.43 -26.16 67.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -45.68 92.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -35.86 82.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.651 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.943 ' CG2' HG11 ' A' ' 7' ' ' VAL . 4.1 mt -63.73 -50.57 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.46 -42.63 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -62.51 -41.58 98.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.614 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.23 -50.63 73.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -34.83 77.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 2.0 mtp180 -60.77 -35.92 77.64 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.5 ' OE2' ' CZ ' ' A' ' 43' ' ' ARG . 17.8 mm-40 -71.2 -34.83 71.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.937 ' O ' HG12 ' A' ' 46' ' ' VAL . 96.0 mt -61.03 -50.11 74.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 9.2 pt-20 -61.97 -31.97 72.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.218 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.5 ' CZ ' ' OE2' ' A' ' 40' ' ' GLU . 11.7 mtp180 -62.85 -38.71 91.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 46.6 t80 -79.08 -2.58 41.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 73.76 48.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.937 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.6 p -125.04 150.0 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.066 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.65 131.24 95.07 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.84 18.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.74 -13.06 55.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.431 1.082 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 60' ' ' ILE . 25.2 mt -74.19 -29.28 61.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 0.0 109.236 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.772 HD11 HD22 ' A' ' 85' ' ' LEU . 9.3 tp -79.61 -14.06 59.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.08 -22.04 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.89 152.56 45.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.579 1.174 . . . . 0.0 110.39 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.509 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 5.1 p -70.04 -28.38 65.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.973 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -63.3 -49.98 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.65 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -70.35 -34.93 68.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.567 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -63.88 -42.79 97.42 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -59.91 -43.04 95.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -58.77 -40.59 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.65 HD12 ' O ' ' A' ' 56' ' ' GLY . 1.1 mp -67.7 -69.8 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.492 ' N ' HG22 ' A' ' 60' ' ' ILE . 14.6 tp -43.46 -34.3 1.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.09 -49.13 59.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -91.01 19.92 5.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 110.314 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.522 HD23 ' CD2' ' A' ' 79' ' ' TYR . 15.5 tp -111.56 -27.06 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.605 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -53.03 -45.11 98.35 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.234 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.91 -40.38 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.81 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.17 -12.1 60.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.942 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.98 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.6 mt -71.08 -44.12 66.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -7.15 51.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.81 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.0 t -120.16 -5.54 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.594 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -81.29 -98.78 0.39 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.492 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 33.7 p 166.42 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.04 -41.07 86.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -46.61 60.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.594 HD13 ' HA2' ' A' ' 71' ' ' GLY . 6.7 tt -59.74 -34.38 72.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.267 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.515 ' HA ' HD22 ' A' ' 68' ' ' LEU . 12.0 ttt180 -61.08 -48.94 79.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -35.88 65.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.953 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -61.2 -47.32 86.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.98 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.7 t80 -63.07 -43.36 98.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.873 ' OD1' HD13 ' A' ' 101' ' ' LEU . 1.7 t-20 -56.21 -33.52 65.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.815 HG23 ' HH2' ' A' ' 16' ' ' TRP . 20.4 m -70.72 -44.84 66.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.567 HG23 ' SG ' ' A' ' 57' ' ' CYS . 21.7 mt -63.77 -39.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 1.03 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -57.92 -54.85 42.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.565 HG12 ' HE3' ' A' ' 16' ' ' TRP . 11.0 t -58.32 -44.45 88.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.841 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.9 -41.22 77.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 61.3 t80 -67.67 -49.58 62.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.572 ' SG ' HG21 ' A' ' 94' ' ' VAL . 4.4 p -60.12 -32.17 70.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.8 t -60.86 -46.72 95.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.509 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 20.7 t-80 -71.78 -23.76 61.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.919 ' CG ' HD11 ' A' ' 92' ' ' ILE . 4.9 tp-100 -85.08 -20.71 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 73.5 42.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.919 HD11 ' CG ' ' A' ' 90' ' ' GLN . 4.9 mm -76.18 141.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -75.93 70.82 2.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.572 HG21 ' SG ' ' A' ' 87' ' ' CYS . 17.1 m -110.97 173.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -135.06 -54.87 0.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.0 170.88 7.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.704 HG22 ' CG ' ' A' ' 80' ' ' ASN . 54.1 m -60.6 -44.52 96.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -61.16 -31.14 70.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -32.0 72.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.843 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -68.55 -47.67 66.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.873 HD13 ' OD1' ' A' ' 80' ' ' ASN . 2.1 mp -56.21 -37.66 69.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -73.06 -47.03 48.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.63 ' HB3' HG21 ' A' ' 92' ' ' ILE . 0.1 OUTLIER -66.72 -58.9 4.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.03 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pt -54.7 -27.98 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 1.3 tm-20 -63.95 -53.88 43.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -51.69 66.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.84 -52.11 58.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -52.62 62.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -53.05 -43.9 67.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -59.8 4.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -22.26 16.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.957 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -67.23 -65.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -58.28 -34.24 70.3 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.424 1.078 . . . . 0.0 109.371 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 113' ' ' LYS . 0.3 OUTLIER -61.59 -53.81 51.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.41 -55.62 23.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -50.55 -50.3 53.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.13 -55.08 31.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.278 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.85 -42.09 64.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.56 89.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.06 8.04 19.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' THR . 23.8 t0 -98.35 -41.09 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' ASP . 57.0 p -38.46 156.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.95 55.75 6.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -41.44 105.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.357 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 45.66 92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 94.4 p -178.42 170.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 30.5 pt20 -108.02 164.24 12.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.374 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 75.6 t -132.44 138.25 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.2 m -159.63 161.11 34.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.968 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -157.74 162.93 38.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.23 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.27 160.07 11.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -113.14 93.98 28.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.8 39.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 10.9 tt -166.67 167.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.1 p -86.88 149.45 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -173.72 129.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -179.36 143.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.46 173.56 11.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -141.88 171.42 14.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 165.26 159.07 11.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 111.069 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -135.64 171.42 14.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 16.7 tpt -122.56 144.97 48.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 35.4 m -115.22 176.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.883 ' HB2' HD13 ' A' ' 247' ' ' ILE . 0.0 OUTLIER -66.67 113.33 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.607 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.27 129.59 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.85 167.0 22.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.656 ' CG2' HG21 ' A' ' 186' ' ' THR . 1.1 tt -97.14 143.56 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.73 159.77 54.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.8 14.42 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -64.72 -37.25 86.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.593 ' OG1' HD21 ' A' ' 175' ' ' LEU . 0.7 OUTLIER -69.06 -33.71 74.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 1.035 HD21 HG22 ' A' ' 186' ' ' THR . 25.5 mt -69.39 -40.59 77.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.4 -35.27 73.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -67.44 -49.26 64.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.56 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 26.5 t-105 -62.37 -48.21 80.79 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 152' ' ' LEU . 37.8 t -50.91 -43.38 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -61.03 -31.82 71.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.669 HG11 ' HG2' ' A' ' 171' ' ' MET . 52.9 t -75.52 -40.56 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.647 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 13.0 t -64.77 -38.69 83.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.22 -30.61 48.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -88.77 3.42 51.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.706 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 8.9 mttt -161.39 -72.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.97 -48.25 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 277' ' ' TYR . 34.0 p90 -156.21 121.15 4.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.533 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -176.65 170.23 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -19.04 18.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.423 1.749 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -93.88 0.64 56.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -104.25 -33.97 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 22.9 mm -53.93 -45.07 99.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.204 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.01 -35.48 3.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.669 ' HG2' HG11 ' A' ' 158' ' ' VAL . 0.8 OUTLIER -62.22 -38.48 89.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.622 ' HE2' HD12 ' A' ' 267' ' ' ILE . 3.7 t80 -62.98 -44.19 96.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -38.42 75.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.9 90.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.593 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.12 -11.56 59.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.738 ' HB2' HD21 ' A' ' 184' ' ' LEU . 1.6 p -102.84 14.11 32.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.965 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 178' ' ' GLY . 3.2 tt0 -42.94 100.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.12 70.08 0.26 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.76 -177.11 3.27 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.443 0.731 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.837 HG21 HD11 ' A' ' 247' ' ' ILE . 0.6 OUTLIER -110.25 -173.0 0.24 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.132 . . . . 0.0 110.442 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -74.98 -41.82 0.61 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.562 1.822 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -70.16 -43.71 70.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.38 -49.23 74.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.738 HD21 ' HB2' ' A' ' 176' ' ' SER . 38.6 mt -64.25 -41.43 96.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 185' ' ' ASN . . . . . 0.402 ' O ' ' ND2' ' A' ' 189' ' ' ASN . 26.3 m-20 -57.73 -38.01 74.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 186' ' ' THR . . . . . 1.035 HG22 HD21 ' A' ' 152' ' ' LEU . 1.0 OUTLIER -60.73 -46.99 88.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 0.0 110.408 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.56 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.4 OUTLIER -66.22 -45.41 80.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.438 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 1.1 mp -69.23 -10.14 56.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 189' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 185' ' ' ASN . 4.8 m-80 -88.33 -29.87 20.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 187' ' ' MET . 6.6 t -92.76 -5.45 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.584 HG22 ' H ' ' A' ' 192' ' ' GLY . 1.0 OUTLIER -52.61 -175.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.584 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -171.98 54.08 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 193' ' ' GLY . . . . . 0.557 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -106.88 26.52 19.12 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 80.1 151.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.59 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -70.82 -37.87 73.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.15 76.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.01 -49.91 76.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.484 ' CE ' HG11 ' A' ' 191' ' ' VAL . 1.7 mmt -58.01 -33.37 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -60.03 -52.08 66.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.9 mtp -66.93 -29.33 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.859 HD12 ' HA3' ' A' ' 269' ' ' GLY . 12.3 tp -62.37 -42.82 99.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 202' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 0.0 OUTLIER -68.36 -29.1 67.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 203' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 2.7 tt0 -66.72 -46.54 75.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.233 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -48.87 43.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.618 HD11 ' HA ' ' A' ' 266' ' ' ILE . 12.9 mt -58.33 -55.62 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 49.4 t-20 -57.64 -37.72 73.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 23.1 mt-10 -66.59 -29.51 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 208' ' ' GLU . . . . . 0.59 ' HG3' HD13 ' A' ' 268' ' ' LEU . 0.0 OUTLIER -62.71 -44.24 96.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.481 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -65.39 -45.03 85.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -53.98 -46.5 71.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -60.87 -33.41 73.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 212' ' ' TRP . . . . . 0.791 ' CZ3' HD11 ' A' ' 215' ' ' LEU . 0.0 OUTLIER -57.17 -66.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -58.01 -32.45 67.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -58.24 -35.66 72.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.791 HD11 ' CZ3' ' A' ' 212' ' ' TRP . 1.8 pp -106.84 -3.88 19.87 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 216' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 212' ' ' TRP . 1.4 t-80 -111.38 98.75 41.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.532 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.72 4.06 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.443 1.76 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.36 87.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.97 150.89 36.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.579 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . 59.28 164.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 102.48 138.77 10.17 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 114.41 4.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.609 1.847 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.734 HD11 ' H ' ' A' ' 229' ' ' ARG . 0.4 OUTLIER -67.13 132.53 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.735 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -67.3 159.86 74.87 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 107.28 2.45 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.459 1.768 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 97.03 -21.94 43.46 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.735 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 1.8 mp0 -55.47 154.64 6.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 0.78 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.573 ' HE3' ' HB3' ' A' ' 245' ' ' GLU . 0.0 OUTLIER -94.52 40.66 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.92 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 0.734 ' H ' HD11 ' A' ' 223' ' ' ILE . 0.1 OUTLIER 26.84 50.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 229' ' ' ARG . 0.0 OUTLIER 83.99 129.42 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.354 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.849 ' CG ' HG21 ' A' ' 256' ' ' ILE . 18.5 Cg_endo -75.05 74.06 4.15 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 232' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 235' ' ' ASP . 18.9 ptt85 -86.63 151.48 23.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.483 ' HA2' ' CZ2' ' A' ' 265' ' ' TRP . . . -35.06 -39.49 0.18 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 234' ' ' SER . . . . . 0.646 ' O ' ' HB3' ' A' ' 237' ' ' ALA . 0.1 OUTLIER -64.74 -53.07 52.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.988 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 235' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 232' ' ' ARG . 0.5 OUTLIER -59.76 -48.02 83.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.853 HG12 HG22 ' A' ' 258' ' ' VAL . 44.7 mt -59.95 -17.32 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 237' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -78.74 -22.61 46.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 96.64 19.53 27.02 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.26 -38.24 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 11.2 m -106.68 -1.04 23.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 241' ' ' SER . . . . . 0.461 ' HB2' ' CG ' ' A' ' 228' ' ' MET . 32.7 t -144.27 148.8 35.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.423 ' CG2' ' H ' ' A' ' 245' ' ' GLU . 1.9 t -90.81 -177.14 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.41 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.59 HD22 HD12 ' A' ' 247' ' ' ILE . 2.6 tm? -69.43 -58.78 3.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -47.81 -54.15 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.573 ' HB3' ' HE3' ' A' ' 228' ' ' MET . 30.8 mt-10 -62.1 -31.43 71.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 246' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -65.06 -68.48 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.36 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.883 HD13 ' HB2' ' A' ' 144' ' ' HIS . 0.8 OUTLIER -41.14 -38.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -61.75 -45.44 96.24 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.57 ' CE2' ' SD ' ' A' ' 228' ' ' MET . 0.1 OUTLIER -58.85 -40.12 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 12.8 mtm -58.75 -31.49 68.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 251' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 251' ' ' THR . 31.6 m -118.01 22.45 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 255' ' ' PRO . 44.6 t-80 -82.29 171.27 14.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.519 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 9.4 t30 -121.22 111.29 33.79 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.519 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.2 Cg_endo -75.07 158.95 98.61 Favored 'Cis proline' 0 C--N 1.361 1.221 0 C-N-CA 120.948 -2.521 . . . . 0.0 110.99 -0.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.483 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.94 119.66 5.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 256' ' ' ILE . . . . . 0.849 HG21 ' CG ' ' A' ' 231' ' ' PRO . 7.1 mt -93.61 134.44 26.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 256' ' ' ILE . 18.4 Cg_endo -75.01 55.61 4.01 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.853 HG22 HG12 ' A' ' 236' ' ' ILE . 2.0 t -59.09 -62.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 259' ' ' GLY . . . . . 0.453 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.21 -41.71 99.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 260' ' ' GLU . . . . . 0.535 ' HA ' ' CG ' ' A' ' 263' ' ' LYS . 2.5 tt0 -63.66 -31.72 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.593 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 10.6 mt -71.67 -45.51 66.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 262' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 0.9 OUTLIER -63.42 -54.25 39.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.543 ' HB3' HD11 ' A' ' 184' ' ' LEU . 0.0 OUTLIER -55.72 -31.37 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.416 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 2.9 mtt85 -66.81 -35.13 79.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.357 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.593 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 40.6 m0 -62.76 -45.4 92.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.952 HG22 ' CD1' ' A' ' 270' ' ' LEU . 69.1 mt -57.19 -47.87 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.622 HD12 ' HE2' ' A' ' 172' ' ' PHE . 0.4 OUTLIER -60.42 -34.41 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 268' ' ' LEU . . . . . 0.59 HD13 ' HG3' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -61.3 -55.44 31.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.859 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -61.87 -61.33 6.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.952 ' CD1' HG22 ' A' ' 266' ' ' ILE . 12.0 mt -43.35 -32.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.54 -47.45 81.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.8 OUTLIER -69.27 -37.71 78.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 0.762 ' CD1' HD13 ' A' ' 201' ' ' LEU . 94.4 mt -61.08 -45.05 99.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 270' ' ' LEU . 74.6 t -69.37 -45.66 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -16.33 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 3.9 ttt -95.93 -37.84 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 164' ' ' PHE . 5.9 m-85 -96.32 16.33 18.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.53 150.27 79.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 59.22 5.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 6.3 m -155.5 107.24 2.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.441 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.17 78.44 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.044 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 1.7 pp -137.7 171.86 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.201 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 6.9 tp -162.21 154.45 19.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.393 1.058 . . . . 0.0 109.277 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -131.47 107.98 9.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.541 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -87.49 118.96 27.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -157.19 126.27 5.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 1.169 . . . . 0.0 109.602 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -166.29 163.94 17.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.558 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -129.47 172.34 11.64 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.536 1.147 . . . . 0.0 109.583 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.566 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.15 62.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.71 -56.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -120.84 100.16 6.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 m -142.37 -179.46 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.818 HG11 HG21 ' A' ' 34' ' ' ILE . 2.8 t -63.03 -49.0 85.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.621 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.3 mt -106.67 155.01 20.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -86.28 179.78 6.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.58 1.175 . . . . 0.0 109.985 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.26 -57.5 19.39 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.552 1.157 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.16 -40.56 24.15 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -39.85 83.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 0.803 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.532 ' CD1' HD13 ' A' ' 31' ' ' LEU . 6.9 tp -68.03 -41.77 81.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -31.83 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.89 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -77.74 -43.76 29.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.853 ' CE3' HD12 ' A' ' 85' ' ' LEU . 33.8 t-105 -56.76 -62.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -50.46 -32.69 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.368 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -46.49 75.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.89 HD12 ' O ' ' A' ' 15' ' ' LYS . 3.3 mp -58.17 146.19 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' C ' HD23 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -117.86 159.76 22.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.547 ' CD2' ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -113.98 -161.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.387 1.055 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.581 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -176.11 -58.89 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.581 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.96 123.22 7.75 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.46 4.56 38.82 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . -131.32 -85.89 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER 87.48 40.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 0.744 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -162.53 -143.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -115.06 173.84 6.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.701 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -91.13 145.6 24.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 111.1 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.92 173.36 11.62 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -62.64 -27.89 69.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -61.59 -46.1 91.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -62.8 -35.78 80.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.408 1.068 . . . . 0.0 109.568 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.818 HG21 HG11 ' A' ' 7' ' ' VAL . 3.5 mt -62.86 -49.78 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.13 -42.92 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.477 ' CZ2' ' HB2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -62.65 -41.17 98.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 108.012 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.617 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.27 -53.05 62.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.884 ' HA ' HD12 ' A' ' 41' ' ' LEU . 6.1 p -59.68 -36.84 77.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -60.89 -40.17 92.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.452 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 15.9 tm-20 -63.13 -34.32 77.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 38' ' ' SER . 9.2 mt -68.38 -31.55 71.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.53 -42.58 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -74.42 -19.82 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.492 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -79.75 -4.75 53.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 71.12 35.21 1.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' ' 41' ' ' LEU . 7.3 p -124.97 150.21 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -64.36 129.23 94.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.243 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -18.93 18.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.82 -11.29 57.53 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.046 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 29.5 mt -72.47 -32.31 66.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.457 HD11 HD22 ' A' ' 85' ' ' LEU . 8.3 tp -72.71 -21.05 61.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.368 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -21.8 63.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.9 p -125.53 154.31 42.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.552 ' HA ' ' CE1' ' A' ' 89' ' ' HIS . 9.8 p -70.08 -28.95 65.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.95 -38.59 76.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.668 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -70.94 -43.18 58.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.419 1.074 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.547 ' HB2' HG23 ' A' ' 82' ' ' ILE . 10.9 p -66.73 -35.79 80.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -59.77 -38.33 81.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -68.67 -33.57 74.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.681 HG12 HD22 ' A' ' 41' ' ' LEU . 1.2 mp -71.47 -72.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.58 HD11 ' CE1' ' A' ' 79' ' ' TYR . 12.1 tp -41.89 -35.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.69 -48.85 81.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.425 1.078 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -96.2 22.01 8.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 110.335 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.555 HD23 ' CD2' ' A' ' 79' ' ' TYR . 16.3 tp -109.76 -25.61 10.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.603 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -53.99 -45.07 99.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.01 -40.39 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.569 1.826 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.803 ' HA ' HG22 ' A' ' 70' ' ' THR . 1.9 m -68.65 -11.8 60.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.951 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.4 mt -70.98 -43.87 67.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -74.36 -7.09 51.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.803 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.78 -5.46 10.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.384 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.769 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -80.69 -98.53 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.587 1.18 . . . . 0.0 111.013 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 16.3 p 167.84 -176.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.72 -40.95 96.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.34 -47.06 58.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.769 HD13 ' CA ' ' A' ' 71' ' ' GLY . 6.9 tt -60.9 -34.37 74.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.332 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.541 ' HA ' HD22 ' A' ' 68' ' ' LEU . 54.3 ttm-85 -61.34 -42.51 98.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -62.92 -30.56 71.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -65.61 -47.36 75.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.951 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.9 t80 -58.69 -43.42 89.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -58.35 -32.24 68.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.617 HG21 ' HB2' ' A' ' 37' ' ' ALA . 24.1 m -64.78 -48.12 75.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.547 HG23 ' HB2' ' A' ' 57' ' ' CYS . 5.4 mt -68.37 -37.64 78.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.986 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -55.23 -57.44 11.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.547 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.7 t -57.97 -41.05 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.853 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.74 -36.71 70.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -61.4 -51.5 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.468 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 0.5 OUTLIER -58.67 -34.45 71.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 108.263 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 t -64.53 -39.38 85.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 54' ' ' SER . 29.7 m170 -56.79 -40.11 75.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.548 ' O ' ' HG2' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -96.43 11.89 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 44.95 42.54 6.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 110.386 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.546 HD11 ' CB ' ' A' ' 90' ' ' GLN . 3.1 mt -74.24 141.51 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.79 106.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.581 HG23 HG13 ' A' ' 19' ' ' ILE . 28.2 m -128.93 174.15 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.92 -49.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.67 170.75 13.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.52 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.4 m -60.05 -45.99 91.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.16 -31.64 63.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.29 -36.58 79.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.366 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.832 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -71.03 -39.27 72.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 2.4 mm? -56.44 -47.67 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -72.53 -41.78 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -62.71 -62.45 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.986 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.6 pt -56.39 -27.95 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -59.79 -54.09 50.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.338 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.64 -51.81 67.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.284 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.73 -52.01 58.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -55.03 -52.74 62.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -53.06 -43.83 67.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -55.77 30.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.0 t -49.98 -50.79 45.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.13 -54.14 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -53.84 31.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.53 -50.74 40.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.49 -54.6 34.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -49.99 -50.18 47.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -53.86 45.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 122' ' ' THR . . . -52.88 -49.41 65.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -50.85 -34.75 29.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.97 -31.68 45.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.376 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -86.23 9.76 16.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 118' ' ' ALA . 39.0 p -128.24 -49.35 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -57.3 -51.36 58.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -41.02 105.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 174.82 167.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.07 170.56 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -176.26 165.38 2.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.4 176.34 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.2 p -170.7 170.47 6.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.946 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -174.67 170.06 3.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -172.21 167.84 5.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -169.18 93.46 0.55 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.15 4.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.559 1.82 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -169.28 145.67 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.7 p -172.38 148.26 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -156.35 171.44 20.23 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -179.19 139.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.9 pp -175.41 143.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -180.0 164.61 1.17 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.165 . . . . 0.0 110.289 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -170.86 150.03 13.37 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 178.89 171.84 0.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 0.751 . . . . 0.0 110.359 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 2.3 mtp 62.35 158.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.61 138.2 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 247' ' ' ILE . 0.2 OUTLIER -78.82 142.54 36.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.156 . . . . 0.0 109.592 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.96 148.09 28.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.66 -178.73 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.555 HG12 HG21 ' A' ' 151' ' ' THR . 1.0 OUTLIER -87.89 143.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.89 160.67 52.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.29 13.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -65.08 -37.33 87.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.555 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -69.6 -38.44 77.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.381 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 156' ' ' VAL . 19.1 mt -57.59 -43.23 84.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -67.33 -30.85 70.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -68.95 -49.2 60.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.572 ' CD1' ' HG3' ' A' ' 187' ' ' MET . 35.5 t-105 -62.42 -46.84 86.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 108.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 152' ' ' LEU . 53.8 t -46.68 -41.69 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -69.24 -33.65 73.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.226 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.83 HG11 ' SD ' ' A' ' 171' ' ' MET . 86.1 t -66.47 -45.03 90.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.748 HG11 ' N ' ' A' ' 192' ' ' GLY . 37.9 t -67.26 -46.71 83.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -67.52 -18.69 65.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.01 -40.53 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.697 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -125.16 -58.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.375 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.28 -48.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 277' ' ' TYR . 7.7 p90 -158.26 85.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.081 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.79 170.65 10.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.23 18.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -97.26 7.7 46.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.51 -34.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 3.2 mt -55.99 -46.98 99.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.2 Cg_endo -74.98 -37.03 2.22 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.83 ' SD ' HG11 ' A' ' 158' ' ' VAL . 0.1 OUTLIER -62.61 -30.15 71.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.823 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 3.5 t80 -69.17 -44.46 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.9 p -59.78 -36.61 77.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.85 92.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.363 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.539 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.2 -9.99 59.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.679 ' OG ' HD21 ' A' ' 184' ' ' LEU . 3.2 t -108.5 14.27 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.064 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 176' ' ' SER . 0.2 OUTLIER -37.88 107.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.99 71.22 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.95 -177.72 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.929 HG21 HD11 ' A' ' 247' ' ' ILE . 0.6 OUTLIER -115.85 -172.92 0.23 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -41.34 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -70.21 -40.38 74.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.71 -49.44 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.679 HD21 ' OG ' ' A' ' 176' ' ' SER . 63.3 mt -66.7 -32.37 73.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' ASN . . . . . 0.478 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 3.3 m-20 -63.41 -32.62 74.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.823 HG23 HD11 ' A' ' 152' ' ' LEU . 0.6 OUTLIER -69.6 -45.43 68.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.453 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.572 ' HG3' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -66.87 -43.44 83.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.042 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.728 HD22 ' HE1' ' A' ' 198' ' ' MET . 10.9 mt -81.73 -4.99 57.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 189' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 1.9 m-20 -77.69 -49.87 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.555 HG23 ' N ' ' A' ' 191' ' ' VAL . 6.8 t -79.89 -58.09 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.77 HG13 ' N ' ' A' ' 192' ' ' GLY . 0.3 OUTLIER 38.57 -161.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.77 ' N ' HG13 ' A' ' 191' ' ' VAL . . . 173.77 37.84 0.04 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.55 1.156 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 193' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -115.94 25.66 9.32 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.505 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 5.3 m170 87.51 145.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 0.787 . . . . 0.0 109.579 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.35 -37.15 77.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.04 76.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -58.92 -49.5 77.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.728 ' HE1' HD22 ' A' ' 188' ' ' LEU . 1.1 mmt -58.07 -36.79 73.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -62.62 -53.86 48.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 42.3 mtm -58.77 -29.5 66.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.848 HD12 ' HA3' ' A' ' 269' ' ' GLY . 10.7 tp -63.05 -43.0 99.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.364 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 202' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 12.7 tttt -68.51 -28.85 67.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 203' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.2 tt0 -67.09 -45.11 78.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -49.35 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.931 HD11 ' HA ' ' A' ' 266' ' ' ILE . 18.4 mt -59.61 -55.4 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 57.6 t-20 -58.32 -36.25 73.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 1.7 tt0 -65.27 -29.74 70.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.398 1.062 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -31.3 69.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.623 ' HB2' ' HA3' ' A' ' 233' ' ' GLY . . . -69.1 -49.68 54.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.25 -48.08 74.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -66.77 -36.81 83.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 212' ' ' TRP . . . . . 0.761 ' CE3' HD11 ' A' ' 215' ' ' LEU . 45.3 t-105 -59.09 -63.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 107.969 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -55.92 -33.01 64.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.384 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 14.4 ttt85 -61.82 -29.45 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.761 HD11 ' CE3' ' A' ' 212' ' ' TRP . 2.6 pp -106.61 -1.22 23.1 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 216' ' ' HIS . . . . . 0.49 ' CE1' ' CZ2' ' A' ' 212' ' ' TRP . 0.6 OUTLIER -111.81 96.6 33.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.575 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 66.08 6.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.429 1.752 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 218' ' ' VAL . 35.8 m -71.29 84.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.33 118.01 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.61 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -164.49 167.65 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -59.78 -122.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.547 1.154 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 92.25 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' A' ' 227' ' ' GLN . 1.1 pt -54.9 173.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.823 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -54.31 163.55 1.25 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 225' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 224' ' ' ALA . 18.3 Cg_endo -74.99 107.55 2.51 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.44 1.758 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 94.11 -21.98 39.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.823 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 1.5 tp60 -41.34 132.87 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.593 ' HE2' ' CD2' ' A' ' 249' ' ' TRP . 10.8 mtm -84.27 45.1 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 0.481 ' HG3' HG21 ' A' ' 223' ' ' ILE . 6.6 ttt-85 32.71 49.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 229' ' ' ARG . 4.0 mm-40 48.87 99.43 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.425 ' CB ' ' CB ' ' A' ' 235' ' ' ASP . 18.2 Cg_endo -75.03 129.1 12.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.85 -147.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.623 ' HA3' ' HB2' ' A' ' 209' ' ' ALA . . . -71.71 -38.06 61.23 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.59 1.181 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 234' ' ' SER . . . . . 0.413 ' O ' ' HB ' ' A' ' 239' ' ' THR . 58.0 m -60.2 -45.6 92.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 235' ' ' ASP . . . . . 0.425 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.0 OUTLIER -74.55 -47.77 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.712 HG12 HG22 ' A' ' 258' ' ' VAL . 89.3 mt -61.85 -14.13 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 237' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 233' ' ' GLY . . . -96.84 -0.82 47.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 1.075 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 71.47 19.72 77.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.413 1.071 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 239' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 234' ' ' SER . 0.8 OUTLIER -90.45 -37.65 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.45 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 240' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 240' ' ' THR . 16.4 m -102.6 0.11 32.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 1.1 m -140.49 155.05 46.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.467 ' CG2' ' HG3' ' A' ' 244' ' ' GLN . 0.7 OUTLIER -79.26 176.49 9.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.75 ' CD1' HD13 ' A' ' 247' ' ' ILE . 3.2 tm? -62.64 -59.43 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 244' ' ' GLN . . . . . 0.467 ' HG3' ' CG2' ' A' ' 242' ' ' THR . 1.7 pt20 -58.47 -20.77 48.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.44 ' HB2' HG22 ' A' ' 242' ' ' THR . 5.4 mt-10 -70.81 -48.92 51.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.284 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 246' ' ' GLN . . . . . 0.517 ' CD ' ' CG1' ' A' ' 258' ' ' VAL . 1.8 tt0 -69.57 -56.05 8.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.24 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.929 HD11 HG21 ' A' ' 180' ' ' THR . 0.9 OUTLIER -51.1 -39.38 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.46 -51.57 57.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.593 ' CD2' ' HE2' ' A' ' 228' ' ' MET . 0.7 OUTLIER -63.08 -32.63 74.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.0 mtm -57.59 -33.44 68.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 251' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 251' ' ' THR . 30.6 m -118.25 22.58 12.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.575 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 53.4 t60 -75.87 170.65 15.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.575 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 7.9 m-80 -120.04 111.26 35.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.386 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.2 Cg_endo -75.09 159.54 97.78 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.965 0.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.497 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.99 120.04 5.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 256' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 4.9 mt -97.79 131.89 25.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.582 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.3 Cg_endo -74.98 54.66 3.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.712 HG22 HG12 ' A' ' 236' ' ' ILE . 1.5 t -64.4 -59.09 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.227 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 259' ' ' GLY . . . . . 0.431 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -60.92 -41.7 99.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -32.0 72.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.734 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 4.2 mt -65.78 -38.66 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 262' ' ' TYR . . . . . 0.452 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 4.7 t80 -63.79 -45.63 88.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -57.08 -34.93 68.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 14.9 mtt180 -68.64 -40.5 80.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.734 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 50.1 m0 -61.83 -44.18 97.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.029 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.931 ' HA ' HD11 ' A' ' 205' ' ' ILE . 77.7 mt -57.41 -45.57 85.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -31.04 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -53.61 52.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.848 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -61.78 -54.59 34.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.759 HD11 HG22 ' A' ' 266' ' ' ILE . 11.6 mt -48.03 -33.26 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 271' ' ' ASN . . . . . 0.538 ' HA ' HD11 ' A' ' 169' ' ' ILE . 46.5 t30 -63.29 -45.02 93.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -37.53 77.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 0.803 ' CD1' HD13 ' A' ' 201' ' ' LEU . 85.7 mt -62.75 -43.8 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 270' ' ' LEU . 75.6 t -72.28 -38.36 61.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -16.2 62.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -37.91 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 0.562 ' HB3' ' CD2' ' A' ' 164' ' ' PHE . 2.1 m-85 -101.54 15.29 29.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.37 114.15 35.38 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 155.25 43.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 15.7 m 62.53 79.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 40.7 t -156.37 155.88 32.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 5.5 pt -141.77 137.37 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 1.7 tt -173.71 157.6 3.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.84 157.41 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 285' ' ' HIS . . . . . 0.504 ' O ' ' CG ' ' A' ' 286' ' ' HIS . 0.0 OUTLIER -178.69 136.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.603 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 286' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 285' ' ' HIS . 91.9 m-70 -160.21 174.77 13.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.653 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -156.8 174.75 15.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.573 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.04 154.11 50.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.636 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 9.2 p80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.545 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.436 ' N ' HG13 ' A' ' 35' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.26 66.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.81 170.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.214 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.87 -170.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m 76.85 94.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.046 HG11 HG21 ' A' ' 34' ' ' ILE . 24.6 t -150.75 -66.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.17 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.608 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.5 mt -105.31 147.02 28.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.5 179.36 7.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 109.997 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.06 -58.4 14.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.41 -40.4 33.2 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.862 ' OE1' HG12 ' A' ' 88' ' ' VAL . 4.1 mm-40 -61.07 -34.98 75.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.847 HD21 HD21 ' A' ' 31' ' ' LEU . 3.3 tp -69.74 -39.83 76.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -56.05 -32.31 63.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.935 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.2 mptt -73.94 -45.85 47.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.89 ' CE3' HD12 ' A' ' 85' ' ' LEU . 53.9 t-105 -58.53 -42.45 87.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.042 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' O ' ' CD ' ' A' ' 28' ' ' GLN . 2.3 mm-40 -74.17 -14.28 60.93 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -90.13 33.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.935 HD12 ' O ' ' A' ' 15' ' ' LYS . 1.7 mp -142.55 140.41 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -103.27 153.03 20.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.88 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -73.63 -139.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.515 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 172.28 -55.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.515 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.1 Cg_endo -75.07 124.45 8.59 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.526 1.803 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.89 1.53 55.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.07 85.78 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.701 ' CB ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -105.65 -3.22 22.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 109.267 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.6 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 2.6 ttmt 96.48 -120.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.41 1.068 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.471 ' C ' HD21 ' A' ' 21' ' ' LEU . 26.7 tt0 -105.74 157.18 17.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.735 ' N ' HD21 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -74.34 146.68 42.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.56 175.16 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.066 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.847 HD21 HD21 ' A' ' 13' ' ' LEU . 2.1 mm? -61.42 -29.23 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.542 ' HE3' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -61.94 -40.04 94.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.542 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 72.4 m80 -66.83 -35.99 81.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.605 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.046 HG21 HG11 ' A' ' 7' ' ' VAL . 6.4 mt -64.78 -49.94 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 2' ' ' GLY . 2.4 t -50.09 -43.32 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 108.031 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.639 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.35 -51.01 71.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.762 ' HA ' HD12 ' A' ' 41' ' ' LEU . 3.7 p -58.44 -35.08 71.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -41.04 95.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.435 ' CB ' ' HG ' ' A' ' 78' ' ' LEU . 33.5 mm-40 -63.5 -34.75 78.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.871 ' O ' HG12 ' A' ' 46' ' ' VAL . 20.9 mt -63.96 -31.69 72.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -69.08 -42.31 76.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -64.31 -23.17 67.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -86.38 -10.96 53.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 73.76 45.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.871 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.5 p -125.01 149.92 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.6 135.69 96.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.358 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -18.74 18.35 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.598 1.841 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.44 -14.31 48.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.529 HD12 HG22 ' A' ' 46' ' ' VAL . 23.3 mt -74.82 -31.73 61.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD1' ' CD2' ' A' ' 85' ' ' LEU . 6.7 tp -78.07 -2.26 36.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -91.99 -22.11 20.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.8 154.86 41.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.363 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.09 -29.43 66.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.99 -49.48 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.694 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -64.19 -41.63 98.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.57 1.169 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.744 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.8 OUTLIER -63.87 -35.94 82.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -59.9 -40.16 87.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -30.78 68.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.694 HD12 ' O ' ' A' ' 56' ' ' GLY . 1.0 OUTLIER -72.93 -73.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.069 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.61 ' N ' HG22 ' A' ' 60' ' ' ILE . 11.6 tp -43.62 -35.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.39 -49.05 77.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.86 19.99 8.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.338 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.5 HD23 ' CD2' ' A' ' 79' ' ' TYR . 19.8 tp -109.37 -24.86 10.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.602 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -53.76 -45.04 98.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.229 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.87 -40.61 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.803 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.33 -11.83 60.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.566 1.166 . . . . 0.0 109.968 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.952 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.2 mt -70.78 -44.16 67.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.2 -7.32 52.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.803 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.34 -5.91 10.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.675 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -80.7 -97.98 0.36 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.591 1.182 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.455 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 23.3 p 167.56 -176.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 0.759 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -61.38 -40.71 95.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -47.07 59.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.675 HD13 ' CA ' ' A' ' 71' ' ' GLY . 8.0 tt -60.77 -34.51 74.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.525 ' HA ' HD22 ' A' ' 68' ' ' LEU . 6.4 tpt180 -61.08 -44.66 97.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -60.82 -30.75 70.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -66.07 -47.35 74.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.952 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.3 t80 -58.16 -41.62 84.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -60.5 -35.22 75.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 37' ' ' ALA . 61.0 m -62.41 -45.53 92.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.431 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.744 HG23 ' SG ' ' A' ' 57' ' ' CYS . 9.3 mt -72.02 -34.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.948 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -55.83 -60.07 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.602 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.5 t -58.59 -39.68 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.89 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.64 -39.88 74.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 44.9 t80 -59.92 -53.12 61.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.407 ' SG ' HD13 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -58.29 -36.19 72.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.356 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.862 HG12 ' OE1' ' A' ' 12' ' ' GLU . 4.4 t -62.04 -41.24 90.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.24 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -55.91 -40.21 72.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.578 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.556 ' CB ' HD12 ' A' ' 92' ' ' ILE . 0.6 OUTLIER -85.72 -20.09 29.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 78.98 41.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.679 HG22 HG13 ' A' ' 94' ' ' VAL . 1.3 mp -75.93 141.08 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -70.57 97.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.679 HG13 HG22 ' A' ' 92' ' ' ILE . 29.8 m -118.32 173.61 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.13 -45.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -132.82 170.92 14.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.513 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.2 m -60.16 -44.9 94.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' N ' ' OD2' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -55.26 -32.05 62.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -41.33 80.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.804 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -67.93 -37.86 82.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 0.8 OUTLIER -56.55 -46.2 80.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.68 -42.53 64.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -62.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.948 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.6 pt -56.04 -28.07 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -59.04 -54.07 51.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.251 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.46 -51.5 69.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.357 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -52.13 -51.11 59.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -55.41 -52.93 61.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.09 -43.74 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -55.04 40.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.43 -51.59 45.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.02 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -53.83 -56.2 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -46.24 -45.53 17.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.14 -43.67 97.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.92 -62.1 1.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 117' ' ' GLN . 19.8 pt20 -52.76 -43.54 65.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 4.5 tm0? -54.41 -55.65 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.232 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.4 -58.9 6.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.37 -47.66 2.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.39 -61.09 2.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.55 -66.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 72.7 p -49.23 -49.09 44.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -91.56 -145.13 14.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -143.85 84.94 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 50.08 91.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.9 t -178.16 156.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.3 128.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.2 p -174.52 149.14 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.7 p 179.26 136.63 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.588 1.18 . . . . 0.0 109.96 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -177.91 139.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 179.41 157.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.486 ' CG ' ' HD2' ' A' ' 133' ' ' PRO . 0.4 OUTLIER -170.08 155.9 5.58 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.486 ' HD2' ' CG ' ' A' ' 132' ' ' TYR . 18.3 Cg_endo -75.02 173.49 14.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 134' ' ' ILE . 13.2 tt -172.78 116.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 72.9 t 64.17 125.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -179.06 72.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.6 m120 56.06 166.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -175.4 143.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.407 ' N ' HD22 ' A' ' 138' ' ' LEU . 0.0 OUTLIER 179.08 171.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.255 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 151.63 137.42 2.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.589 1.18 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -173.0 123.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 0.713 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.7 ttt -178.15 84.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.7 p -172.72 151.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 247' ' ' ILE . 6.0 t60 -97.94 142.62 29.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -81.9 148.28 28.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 110.293 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.35 -176.36 2.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.586 HG12 HG21 ' A' ' 151' ' ' THR . 1.3 tt -84.01 143.05 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.1 160.76 51.36 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.053 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.28 14.03 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.504 1.792 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -65.64 -37.4 86.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.651 ' OG1' HD21 ' A' ' 175' ' ' LEU . 0.6 OUTLIER -66.1 -40.83 91.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.953 ' O ' HG23 ' A' ' 156' ' ' VAL . 19.2 mt -58.76 -40.58 84.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.11 -41.86 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.01 79.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 109.337 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 172' ' ' PHE . 40.5 t-105 -62.01 -46.49 88.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 152' ' ' LEU . 40.3 t -45.25 -43.14 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -66.06 -37.84 86.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 155' ' ' TRP . 67.9 t -63.35 -44.53 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.709 HG13 ' HB2' ' A' ' 163' ' ' ALA . 90.1 t -56.32 -46.6 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.86 -24.65 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.246 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.99 -52.8 10.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 1.018 ' O ' HG21 ' A' ' 168' ' ' VAL . 5.5 mttt -173.06 66.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.331 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.709 ' HB2' HG13 ' A' ' 159' ' ' VAL . . . -33.29 -45.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.506 ' CD1' ' CE2' ' A' ' 277' ' ' TYR . 1.3 p90 -117.95 126.41 52.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.491 ' HB2' ' HD2' ' A' ' 166' ' ' PRO . 4.0 p 178.69 170.35 0.51 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.945 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.2 Cg_endo -74.98 -36.11 2.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -88.92 9.28 25.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 1.018 HG21 ' O ' ' A' ' 162' ' ' LYS . 2.2 t -105.78 -34.28 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.642 HD11 ' C ' ' A' ' 270' ' ' LEU . 0.0 OUTLIER -54.95 -45.43 99.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.08 -34.21 3.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -51.05 69.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.557 ' HB2' ' CH2' ' A' ' 155' ' ' TRP . 13.3 t80 -61.55 -44.22 97.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' SER . . . . . 0.626 ' HB3' HD11 ' A' ' 267' ' ' ILE . 11.1 p -58.54 -33.21 69.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.59 92.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.651 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -75.99 -10.17 59.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.933 ' OG ' HD21 ' A' ' 184' ' ' LEU . 3.0 t -106.97 14.26 26.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 176' ' ' SER . 4.3 mt-10 -37.62 109.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.313 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.6 66.85 0.52 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.85 -176.05 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.937 HG21 HD11 ' A' ' 247' ' ' ILE . 1.7 p -108.55 -176.55 0.41 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.4 Cg_endo -74.96 -42.44 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.457 1.767 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -49.55 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.257 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.45 ' OD2' HD12 ' A' ' 147' ' ' ILE . 0.0 OUTLIER -58.5 -49.11 78.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.933 HD21 ' OG ' ' A' ' 176' ' ' SER . 40.3 mt -61.91 -43.2 99.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -57.17 -35.33 69.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.856 HG23 HD11 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -62.43 -44.33 96.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.597 1.186 . . . . 0.0 110.357 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.528 ' O ' HG22 ' A' ' 190' ' ' THR . 0.3 OUTLIER -69.7 -45.5 68.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.426 HD11 HG12 ' A' ' 266' ' ' ILE . 13.5 mt -64.04 -28.91 70.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.02 -39.94 78.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 187' ' ' MET . 5.4 t -84.31 -2.56 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.557 HG11 ' HE3' ' A' ' 198' ' ' MET . 0.7 OUTLIER -52.18 -176.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.709 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -169.89 55.55 0.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.095 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 193' ' ' GLY . . . . . 0.538 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -115.02 32.61 5.71 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.405 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 4.2 t-160 81.35 133.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 0.0 109.572 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.72 -37.96 74.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 110.368 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.48 75.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.08 -49.9 76.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.561 ' HE1' HD23 ' A' ' 201' ' ' LEU . 1.0 OUTLIER -57.93 -33.43 68.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -69.06 -54.46 14.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.3 mtp -59.86 -29.68 68.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.575 HD13 ' HA3' ' A' ' 269' ' ' GLY . 16.2 tp -65.18 -42.6 93.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -63.46 -29.52 70.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 203' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 3.8 tt0 -66.91 -46.45 74.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.203 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.71 -49.04 51.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.349 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.63 HD11 ' HA ' ' A' ' 266' ' ' ILE . 16.2 mt -58.24 -55.48 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.585 1.178 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -57.88 -38.02 75.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 19.4 mt-10 -66.16 -29.73 70.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 208' ' ' GLU . . . . . 0.538 ' HG2' ' CD1' ' A' ' 265' ' ' TRP . 0.4 OUTLIER -64.53 -44.81 89.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.508 ' HB1' ' HA3' ' A' ' 233' ' ' GLY . . . -61.54 -50.01 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.51 -48.0 75.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.85 -39.01 90.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 212' ' ' TRP . . . . . 0.588 ' CE3' HD11 ' A' ' 215' ' ' LEU . 44.4 t-105 -60.16 -59.63 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 108.017 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -56.17 -33.36 65.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -61.79 -32.67 72.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.588 HD11 ' CE3' ' A' ' 212' ' ' TRP . 2.6 pp -101.26 0.04 36.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.53 97.31 36.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.537 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 82.56 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.532 1.806 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 218' ' ' VAL . 10.7 p -114.98 97.65 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -131.1 112.86 13.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -151.3 174.06 13.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -92.47 -142.47 11.29 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.439 1.087 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.66 5.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.427 1.751 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.997 HG21 ' CD ' ' A' ' 229' ' ' ARG . 1.1 pt -92.93 -178.84 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.712 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -52.72 156.16 3.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.586 1.179 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 107.53 2.51 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 99.11 -21.85 43.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.712 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 0.2 OUTLIER -51.62 137.59 24.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 0.808 . . . . 0.0 110.32 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.589 ' HE2' ' CD2' ' A' ' 249' ' ' TRP . 31.3 ttp -116.58 68.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 0.997 ' CD ' HG21 ' A' ' 223' ' ' ILE . 13.7 ptt-85 -59.9 -179.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 229' ' ' ARG . 0.2 OUTLIER -35.79 96.93 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 229' ' ' ARG . 18.5 Cg_endo -74.97 143.71 29.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -85.92 177.57 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.672 ' HA2' HD12 ' A' ' 236' ' ' ILE . . . -52.77 -38.55 53.79 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 6.5 m -61.41 -40.11 93.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.034 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 235' ' ' ASP . . . . . 0.448 ' O ' ' NE2' ' A' ' 246' ' ' GLN . 1.4 m-20 -65.73 -36.55 83.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.672 HD12 ' HA2' ' A' ' 233' ' ' GLY . 4.0 mt -60.42 -30.01 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.48 -22.98 61.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 90.62 23.49 30.82 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.23 -38.23 15.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 15.4 m -105.83 -0.8 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.432 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 5.8 t -138.8 136.81 36.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.23 172.52 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.365 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.674 HD13 HG12 ' A' ' 247' ' ' ILE . 3.0 tm? -65.64 -59.15 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -49.29 -24.92 2.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 110.35 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.404 ' CB ' ' HE1' ' A' ' 228' ' ' MET . 3.9 mt-10 -70.46 -49.4 48.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.067 . . . . 0.0 110.278 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 246' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 235' ' ' ASP . 55.0 mt-30 -69.91 -37.6 76.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.937 HD11 HG21 ' A' ' 180' ' ' THR . 33.3 mm -52.54 -57.3 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.73 -45.48 96.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.589 ' CD2' ' HE2' ' A' ' 228' ' ' MET . 0.4 OUTLIER -56.21 -31.47 63.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.98 -41.05 87.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 251' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 251' ' ' THR . 30.3 m -106.91 22.11 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.36 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 255' ' ' PRO . 81.9 t60 -86.28 170.2 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.554 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.456 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 40.3 m-80 -121.22 111.52 33.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.7 Cg_endo -74.94 159.34 98.14 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.032 -0.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.11 121.69 6.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.407 1.74 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 256' ' ' ILE . . . . . 0.45 HD13 ' CD1' ' A' ' 249' ' ' TRP . 4.6 mt -95.71 111.36 55.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 54.66 3.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.604 1.844 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.858 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.3 OUTLIER -58.19 -41.66 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -62.23 -42.71 99.72 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.34 -32.36 73.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.858 HD12 ' HA ' ' A' ' 258' ' ' VAL . 8.2 mt -63.61 -45.72 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 262' ' ' TYR . . . . . 0.629 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 8.5 t80 -71.42 -39.75 70.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.524 ' HE3' HD13 ' A' ' 267' ' ' ILE . 0.0 OUTLIER -58.46 -44.9 89.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -32.07 73.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.562 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 50.8 m0 -61.96 -47.76 83.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 107.962 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.877 HG22 HD11 ' A' ' 270' ' ' LEU . 54.4 mt -57.52 -48.24 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 173' ' ' SER . 0.8 OUTLIER -60.15 -35.48 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 268' ' ' LEU . . . . . 0.465 HD22 ' OE2' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -58.72 -54.26 49.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.575 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.65 -60.51 7.67 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.509 1.131 . . . . 0.0 111.049 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.877 HD11 HG22 ' A' ' 266' ' ' ILE . 11.8 mt -42.04 -31.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -69.25 -47.03 65.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.37 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 269' ' ' GLY . 21.1 mttt -65.02 -36.58 84.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 0.533 HD11 ' HB2' ' A' ' 201' ' ' LEU . 15.4 mt -72.52 -33.35 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 270' ' ' LEU . 19.0 t -68.95 -47.4 75.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 275' ' ' ARG . . . . . 0.446 ' CD ' ' HA ' ' A' ' 272' ' ' LYS . 8.6 ptt85 -73.04 -16.01 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -35.17 16.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 0.515 ' O ' ' CG ' ' A' ' 277' ' ' TYR . 6.4 t80 -94.49 1.87 55.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 3.8 p -81.16 114.28 47.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.958 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 124.95 9.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 280' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 280' ' ' THR . 8.5 t -172.65 60.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.357 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 8.4 t -167.48 145.03 4.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 2.0 tt -61.65 175.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 2.1 tt -160.52 155.0 23.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -128.78 123.84 33.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.543 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -172.0 173.14 4.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.624 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.56 174.79 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.626 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -97.92 172.71 7.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.538 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -148.3 168.22 23.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.15 . . . . 0.0 109.626 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.626 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -177.15 80.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.62 140.42 17.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.22 176.93 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.503 ' O ' HG23 ' A' ' 7' ' ' VAL . 6.9 m 69.25 93.35 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.954 HG11 HG21 ' A' ' 34' ' ' ILE . 3.0 t -154.25 -64.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.624 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.8 mt -101.76 150.71 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -86.27 179.68 6.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.7 -57.47 19.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.07 27.86 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.4 ' OE1' HG12 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -59.41 -38.89 81.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 0.726 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.523 ' CD1' HD13 ' A' ' 31' ' ' LEU . 8.7 tp -67.35 -41.61 84.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.82 -31.78 62.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.846 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -77.11 -44.14 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.816 ' CE3' HD12 ' A' ' 85' ' ' LEU . 45.0 t-105 -56.58 -62.41 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 3.5 mt-10 -51.77 -30.02 21.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -50.12 75.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.846 HD12 ' O ' ' A' ' 15' ' ' LYS . 2.1 mp -47.7 133.13 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.863 ' C ' HD23 ' A' ' 21' ' ' LEU . 1.3 mpt_? -98.65 168.3 10.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.863 HD23 ' C ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -151.82 -166.18 2.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.609 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -167.16 -60.19 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.609 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.1 Cg_endo -75.07 122.56 7.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.68 9.98 28.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.388 1.055 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.781 ' HA3' HD12 ' A' ' 21' ' ' LEU . . . -118.75 -179.17 16.9 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 27' ' ' LYS . 21.0 mmtt -112.47 25.08 11.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER 87.09 -7.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.707 ' O ' HD11 ' A' ' 21' ' ' LEU . 32.8 tt0 -157.78 162.37 38.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.793 ' N ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -98.53 149.21 22.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -143.3 171.93 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.523 HD13 ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -62.51 -27.18 68.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -46.11 90.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -63.02 -35.79 81.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.54 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.954 HG21 HG11 ' A' ' 7' ' ' VAL . 3.7 mt -63.12 -50.07 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.49 -42.27 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -62.32 -40.27 95.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 108.024 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.657 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.69 -52.18 66.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.524 ' HA ' HD12 ' A' ' 41' ' ' LEU . 5.4 p -57.81 -35.15 70.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -60.97 -40.09 92.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 3.3 mm-40 -63.63 -34.44 77.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.761 ' O ' HG12 ' A' ' 46' ' ' VAL . 18.8 mt -70.44 -31.94 69.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -71.34 -42.87 67.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -76.57 -16.73 59.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.224 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -82.41 -6.6 59.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 74.36 34.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.761 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.2 p -124.96 149.78 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -64.74 133.91 95.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -19.04 18.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.03 -13.49 48.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.435 HD12 HG22 ' A' ' 46' ' ' VAL . 20.2 mt -76.16 -23.48 54.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 0.721 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.52 ' CD1' ' CD2' ' A' ' 85' ' ' LEU . 6.9 tp -85.47 -2.27 57.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -90.45 -22.24 21.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -126.0 158.44 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.445 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 p -70.13 -31.43 68.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -63.56 -47.3 82.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -64.44 -40.45 97.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.22 -37.9 89.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -43.25 95.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.67 -34.81 77.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.693 HG12 HD22 ' A' ' 41' ' ' LEU . 1.2 mp -73.27 -74.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.581 ' N ' HG22 ' A' ' 60' ' ' ILE . 11.8 tp -41.69 -37.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.44 -48.73 84.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' ILE . 10.3 mt-30 -96.3 21.95 8.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 0.72 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.543 HD23 ' CD2' ' A' ' 79' ' ' TYR . 16.6 tp -108.9 -26.04 10.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.607 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.6 tm0? -53.56 -45.14 98.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.06 -40.1 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.838 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.8 m -68.67 -12.33 61.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.939 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.8 mt -70.74 -43.68 68.36 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -74.63 -6.92 51.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.464 1.103 . . . . 0.0 110.364 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.838 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.93 -5.05 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.66 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.74 -99.46 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.56 1.163 . . . . 0.0 111.068 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.0 p 168.98 -176.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.994 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -61.24 -41.2 96.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.43 -46.94 58.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.66 HD13 ' CA ' ' A' ' 71' ' ' GLY . 5.1 tt -60.41 -34.11 73.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.545 ' HA ' HD22 ' A' ' 68' ' ' LEU . 2.8 tpt180 -61.76 -42.62 99.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 13.9 t -62.05 -30.96 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -65.3 -47.03 78.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.939 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.0 t80 -59.21 -42.24 90.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.455 ' HB2' ' CG2' ' A' ' 97' ' ' THR . 0.0 OUTLIER -60.13 -29.12 68.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.525 HG21 ' HB2' ' A' ' 37' ' ' ALA . 24.3 m -68.59 -48.0 65.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.142 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.462 HD13 HG21 ' A' ' 60' ' ' ILE . 6.5 mt -68.48 -35.85 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 1.023 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -56.31 -58.87 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.499 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.6 t -58.52 -41.38 81.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.816 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.6 -38.91 72.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.433 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 34.7 t80 -61.96 -42.48 99.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.569 ' HA ' HD13 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -68.18 -39.02 82.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.4 HG12 ' OE1' ' A' ' 12' ' ' GLU . 4.1 t -62.11 -42.75 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.502 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 7.7 m-70 -56.09 -40.04 73.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.496 ' HB2' HD12 ' A' ' 92' ' ' ILE . 2.4 mm-40 -87.16 -19.55 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.1 OUTLIER 79.67 40.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.663 HG22 HG13 ' A' ' 94' ' ' VAL . 1.7 mp -75.96 141.03 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.82 101.35 0.64 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.663 HG13 HG22 ' A' ' 92' ' ' ILE . 27.0 m -135.88 154.8 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.12 23.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 178.78 157.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.499 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.8 m -60.43 -34.87 74.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -31.4 70.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -42.78 96.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -70.24 -39.74 74.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.742 HD12 HD11 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -53.92 -46.79 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -73.9 -41.72 61.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.46 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.54 -63.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.023 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -54.76 -27.67 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -54.08 49.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -61.2 -46.71 89.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.91 -51.02 59.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -55.13 -54.74 39.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.94 -38.47 61.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.398 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -66.21 -43.34 86.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -64.59 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 113' ' ' LYS . 2.1 ptmm? -41.7 -38.88 1.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -56.71 -59.36 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -48.69 31.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.4 -54.72 32.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.7 -52.56 47.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.14 -50.95 60.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.01 -51.74 60.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.95 -53.19 53.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.54 -47.68 14.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.84 -57.1 13.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 69.2 p -67.41 104.12 1.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -151.75 133.24 4.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.435 1.084 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -155.63 167.78 29.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.583 0.814 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -179.37 164.99 1.39 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.2 p -169.78 170.5 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.948 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -146.35 171.4 15.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -131.91 176.32 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.25 170.54 17.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -146.34 171.46 14.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -141.68 167.79 21.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -154.56 93.44 2.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 179.24 6.29 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.429 1.752 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.7 tt -129.12 174.06 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.4 m -144.72 176.32 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.153 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -141.19 171.06 14.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.364 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -162.67 167.82 22.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.0 mp -145.79 176.77 9.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -161.72 170.77 19.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -62.24 -159.46 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -153.05 59.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.0 110.217 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.4 mpp? 56.28 168.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.571 HG13 ' O ' ' A' ' 143' ' ' VAL . 12.4 p -167.78 64.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.38 1.05 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.678 ' N ' HG21 ' A' ' 247' ' ' ILE . 54.3 p-80 -66.56 102.73 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.639 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -111.71 104.1 12.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.51 166.35 23.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.829 HD12 ' OD1' ' A' ' 183' ' ' ASP . 0.7 OUTLIER -82.32 141.85 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.49 162.26 45.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -24.43 12.74 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -41.13 93.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.613 HG21 HG12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -72.17 -35.65 69.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.416 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.851 HD11 HG21 ' A' ' 186' ' ' THR . 29.4 mt -66.51 -32.92 74.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.71 -47.53 62.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.52 76.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.658 ' HZ2' HG23 ' A' ' 191' ' ' VAL . 1.8 t90 -61.96 -49.03 77.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 152' ' ' LEU . 3.5 t -45.14 -44.16 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -35.05 76.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.596 1.185 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.635 HG21 ' CE ' ' A' ' 171' ' ' MET . 98.2 t -71.09 -45.7 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.519 HG23 ' NE1' ' A' ' 155' ' ' TRP . 2.6 t -55.12 -33.68 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -78.44 -39.22 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -85.63 12.22 9.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.719 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -154.26 -77.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.87 -48.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 197' ' ' ALA . 4.0 m-85 -165.88 76.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.419 ' O ' HG12 ' A' ' 168' ' ' VAL . 0.7 OUTLIER -127.23 170.61 9.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -19.22 18.28 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.17 -1.57 56.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.583 1.177 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 165' ' ' SER . 0.4 OUTLIER -102.08 -34.21 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.606 HD11 ' C ' ' A' ' 270' ' ' LEU . 3.3 mt -53.55 -47.72 95.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.97 -35.88 2.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.586 1.835 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.635 ' CE ' HG21 ' A' ' 158' ' ' VAL . 0.0 OUTLIER -62.08 -34.35 76.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.969 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.599 ' CD2' ' SD ' ' A' ' 187' ' ' MET . 1.2 t80 -66.81 -43.18 84.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' SER . . . . . 0.573 ' HB3' HD11 ' A' ' 267' ' ' ILE . 9.9 p -58.31 -39.99 80.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.42 93.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -75.83 -10.61 59.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.828 ' OG ' HD21 ' A' ' 184' ' ' LEU . 3.2 t -106.63 14.07 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 178' ' ' GLY . 41.3 tt0 -40.09 105.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.17 67.69 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.735 ' HB1' ' OD2' ' A' ' 183' ' ' ASP . . . -103.91 -175.46 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.918 HG21 HD11 ' A' ' 247' ' ' ILE . 1.0 OUTLIER -112.12 -175.23 0.31 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 110.407 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.05 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -34.33 72.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.829 ' OD1' HD12 ' A' ' 147' ' ' ILE . 4.0 t0 -77.63 -49.91 13.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.828 HD21 ' OG ' ' A' ' 176' ' ' SER . 35.7 mt -64.12 -32.44 74.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 185' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 181' ' ' PRO . 4.3 t-20 -65.6 -38.79 90.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.851 HG21 HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -60.55 -42.71 97.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.602 ' O ' ' CZ2' ' A' ' 155' ' ' TRP . 7.2 ttm -67.81 -46.38 72.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.523 HD22 ' CE ' ' A' ' 198' ' ' MET . 9.7 mt -81.69 7.5 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 189' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 5.0 t30 -100.58 -49.5 4.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 191' ' ' VAL . 3.3 t -98.64 10.76 40.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.373 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.794 HG11 ' CE ' ' A' ' 198' ' ' MET . 1.3 p -51.11 -175.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.608 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -162.17 83.78 0.12 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 111.071 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 193' ' ' GLY . . . . . 0.561 ' HA2' ' HB1' ' A' ' 163' ' ' ALA . . . -134.03 -62.13 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 0.1 OUTLIER 169.31 133.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.557 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -57.44 -42.48 82.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.95 -48.99 77.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 197' ' ' ALA . . . . . 0.609 ' HB1' ' CG2' ' A' ' 273' ' ' ILE . . . -59.94 -49.17 78.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.794 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.93 -33.55 68.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -48.97 79.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -41.58 96.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.92 ' HB2' HD11 ' A' ' 273' ' ' ILE . 16.0 tp -57.95 -42.75 85.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 202' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 7.0 tttp -68.07 -29.65 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 203' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 3.8 tt0 -67.27 -45.03 77.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.06 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.5 -49.01 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.973 HD11 ' HA ' ' A' ' 266' ' ' ILE . 16.7 mt -59.45 -55.66 22.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.241 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 206' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 23.3 t-20 -58.64 -34.66 71.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 3.5 tt0 -65.7 -31.58 72.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.53 -36.94 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.517 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -73.73 -48.62 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.2 -47.67 74.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.31 -33.81 74.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 212' ' ' TRP . . . . . 0.802 ' CZ3' HD11 ' A' ' 215' ' ' LEU . 0.0 OUTLIER -57.3 -64.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.13 -33.07 70.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -58.9 -33.62 70.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.258 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.802 HD11 ' CZ3' ' A' ' 212' ' ' TRP . 1.9 pp -106.59 -4.51 19.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 216' ' ' HIS . . . . . 0.565 ' ND1' HG23 ' A' ' 218' ' ' VAL . 7.8 t-80 -111.04 119.14 46.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.627 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 56.27 4.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.562 1.822 . . . . 0.0 111.053 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 0.704 HG21 ' HD3' ' A' ' 232' ' ' ARG . 58.6 t -78.94 137.53 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -174.97 59.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.639 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -95.22 173.82 7.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -96.04 -142.93 13.64 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 223' ' ' ILE . . . . . . . . . . . . . 6.2 tp -46.54 146.57 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.946 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -57.53 157.9 12.55 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 104.81 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.454 1.765 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 101.73 -19.18 51.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.946 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 9.4 mm-40 -92.2 159.01 15.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.615 0.833 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.627 ' HE3' ' CD2' ' A' ' 249' ' ' TRP . 8.6 ttm -128.52 151.02 49.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 230' ' ' GLU . 6.4 ptt-85 -96.29 -179.09 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 229' ' ' ARG . 28.0 mt-10 -37.47 148.38 0.21 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.474 ' O ' ' CZ ' ' A' ' 232' ' ' ARG . 18.2 Cg_endo -75.01 107.05 2.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.442 1.759 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 232' ' ' ARG . . . . . 0.704 ' HD3' HG21 ' A' ' 218' ' ' VAL . 0.0 OUTLIER -117.28 146.37 43.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.517 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -36.97 -38.25 0.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 2.5 p -60.28 -51.77 68.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 109.918 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 235' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 241' ' ' SER . 1.9 t70 -65.6 -37.35 86.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.07 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.722 HD13 HG21 ' A' ' 261' ' ' ILE . 26.2 mt -60.29 -26.62 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -85.73 -15.88 40.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 68.84 32.32 73.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.25 -38.28 13.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 5.0 t -109.54 -2.32 17.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 241' ' ' SER . . . . . 0.472 ' CB ' ' OD1' ' A' ' 235' ' ' ASP . 1.9 t -126.41 145.9 50.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.966 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 245' ' ' GLU . 0.4 OUTLIER -81.77 160.27 23.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.606 HD13 ' CG1' ' A' ' 247' ' ' ILE . 2.9 tm? -55.88 -61.11 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -44.5 -27.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.53 ' CG ' ' HE2' ' A' ' 228' ' ' MET . 0.5 OUTLIER -69.69 -49.66 51.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -67.34 -42.65 83.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.918 HD11 HG21 ' A' ' 180' ' ' THR . 45.0 mm -48.0 -56.86 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 248' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -59.72 -41.18 97.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.627 ' CD2' ' HE3' ' A' ' 228' ' ' MET . 0.1 OUTLIER -58.74 -31.61 68.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.4 tpp -68.14 -39.17 82.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.8 p -108.36 22.4 15.98 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 82.0 t60 -85.27 169.5 13.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.647 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.495 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 9.3 t-20 -120.35 111.41 35.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.98 159.83 97.44 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.011 -0.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.481 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.5 Cg_endo -75.04 119.88 5.83 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.56 114.2 61.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 56.34 4.26 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.477 ' CG2' HG12 ' A' ' 236' ' ' ILE . 0.4 OUTLIER -54.98 -43.66 70.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -60.51 -41.33 98.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.58 -38.85 77.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.722 HG21 HD13 ' A' ' 236' ' ' ILE . 18.8 mt -64.22 -46.09 94.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.162 . . . . 0.0 109.352 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -47.28 73.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.464 ' CE ' ' HB2' ' A' ' 173' ' ' SER . 0.8 OUTLIER -56.7 -45.92 81.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -61.16 -40.0 92.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 261' ' ' ILE . 40.5 m0 -62.14 -47.44 84.57 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.973 ' HA ' HD11 ' A' ' 205' ' ' ILE . 94.3 mt -57.62 -46.67 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.573 HD11 ' HB3' ' A' ' 173' ' ' SER . 0.2 OUTLIER -59.61 -32.57 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -56.53 21.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.71 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -61.98 -56.94 19.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.838 HD11 HG22 ' A' ' 266' ' ' ILE . 12.5 mt -46.33 -33.27 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 0.797 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 271' ' ' ASN . . . . . 0.435 ' HA ' ' CD1' ' A' ' 169' ' ' ILE . 1.3 m-20 -63.74 -45.74 88.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -68.9 -37.46 79.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.229 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 273' ' ' ILE . . . . . 0.92 HD11 ' HB2' ' A' ' 201' ' ' LEU . 47.6 mt -59.72 -46.22 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 270' ' ' LEU . 77.0 t -69.07 -45.99 79.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -58.28 -16.33 13.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 4.5 tpt -95.62 -37.89 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 0.535 ' O ' ' CG ' ' A' ' 277' ' ' TYR . 15.6 t80 -95.44 18.19 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.0 150.19 92.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 279' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 280' ' ' THR . 18.3 Cg_endo -75.03 -179.14 4.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 280' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 279' ' ' PRO . 77.4 p -38.72 104.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.37 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.62 90.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.95 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 282' ' ' ILE . . . . . 0.437 HD13 ' N ' ' A' ' 283' ' ' LEU . 0.4 OUTLIER -171.44 124.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 283' ' ' LEU . . . . . 0.437 ' N ' HD13 ' A' ' 282' ' ' ILE . 0.3 OUTLIER -114.18 81.03 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.336 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -150.53 162.79 39.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.58 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.74 172.5 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.561 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -142.43 174.83 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.601 1.188 . . . . 0.0 109.617 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -146.81 165.41 29.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.615 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -160.83 172.51 16.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.54 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.627 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.18 100.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 0.0 109.355 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.36 155.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 64.24 161.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 7' ' ' VAL . 78.5 p 178.43 98.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.962 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.07 HG11 HG21 ' A' ' 34' ' ' ILE . 30.3 t -153.19 -62.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.861 HD21 HD12 ' A' ' 85' ' ' LEU . 11.2 mt -102.48 155.46 18.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.04 179.75 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.88 -57.67 18.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.35 -40.55 23.4 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.04 -39.38 81.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.783 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.567 HD11 HD13 ' A' ' 31' ' ' LEU . 5.7 tp -69.77 -36.05 75.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.29 -33.15 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' O ' HG12 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -76.29 -45.46 32.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.707 ' CZ3' HD22 ' A' ' 85' ' ' LEU . 17.9 t-105 -56.59 -50.65 71.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 107.995 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.01 -21.76 66.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -2.41 28.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.518 ' CD1' HG23 ' A' ' 94' ' ' VAL . 1.6 mm -84.71 145.34 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 7.7 mtp180 -105.43 151.56 24.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.484 HD21 ' CG ' ' A' ' 29' ' ' TYR . 13.6 mt -101.89 -162.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -78.78 170.17 17.38 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 129.7 12.53 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.19 -0.9 60.44 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.28 -163.73 21.89 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -34.45 66.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 0.773 . . . . 0.0 109.363 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER 80.19 -2.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -155.04 149.21 25.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.699 ' CD2' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -91.43 152.56 20.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.938 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.71 174.59 10.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.567 HD13 HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.67 -27.84 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -45.59 93.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -63.73 -35.95 82.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.621 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.07 HG21 HG11 ' A' ' 7' ' ' VAL . 4.3 mt -63.27 -50.34 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.429 HG13 ' NH1' ' A' ' 39' ' ' ARG . 2.4 t -51.76 -41.94 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.1 . . . . 0.0 109.27 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -62.17 -42.61 99.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 0.0 108.019 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.08 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.19 -53.13 61.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.561 ' OG ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -59.78 -35.32 74.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.429 ' NH1' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -60.9 -41.19 95.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.49 -35.04 79.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 95.5 mt -67.79 -41.53 83.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.83 -35.41 68.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -75.73 -25.58 56.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.606 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 31.0 t80 -75.95 -6.07 49.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 77.69 30.98 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 1.3 p -123.77 150.3 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -63.72 131.13 94.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -18.79 18.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.45 -10.17 56.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.828 HD12 HD11 ' A' ' 60' ' ' ILE . 23.8 mt -75.52 -26.3 57.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.747 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.562 HD13 HG22 ' A' ' 82' ' ' ILE . 11.8 tp -78.82 -10.14 59.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -83.25 -22.03 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.2 p -125.87 153.55 43.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.52 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -69.99 -29.03 66.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -49.94 67.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.425 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -69.75 -38.61 76.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.576 1.172 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 46.8 t -64.06 -39.69 94.63 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -59.9 -39.58 85.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -62.89 -43.43 98.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.828 HD11 HD12 ' A' ' 50' ' ' LEU . 1.2 mp -68.85 -70.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.476 ' N ' HG22 ' A' ' 60' ' ' ILE . 12.8 tp -42.41 -37.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.92 -48.92 83.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.62 1.2 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -93.51 19.08 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 0.808 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.005 HD22 HD11 ' A' ' 82' ' ' ILE . 2.8 tp -108.45 -23.35 11.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.608 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 tm0? -54.6 -44.87 99.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.02 -39.88 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.829 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.5 OUTLIER -67.34 -11.87 58.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.932 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.6 mt -70.66 -45.01 65.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.84 -7.18 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.829 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.2 t -119.49 -6.01 10.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.749 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.34 -98.79 0.39 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 30.9 p 165.49 -176.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -58.57 -41.09 84.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -47.11 55.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.335 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.749 HD13 ' CA ' ' A' ' 71' ' ' GLY . 7.4 tt -58.77 -34.59 71.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.517 ' HA ' HD22 ' A' ' 68' ' ' LEU . 2.2 mmm180 -62.5 -46.08 90.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.0 t -56.22 -34.09 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.519 ' CD1' HD21 ' A' ' 64' ' ' LEU . 1.2 tm? -62.95 -47.37 83.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.932 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.4 t80 -61.81 -33.83 74.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.845 ' OD1' HD13 ' A' ' 101' ' ' LEU . 1.9 t-20 -70.48 -27.6 64.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 1.08 HG21 ' HB2' ' A' ' 37' ' ' ALA . 28.4 m -70.69 -49.3 48.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.005 HD11 HD22 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -69.3 -44.23 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 1.011 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -48.3 -52.19 22.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.686 HG22 ' CB ' ' A' ' 100' ' ' ALA . 6.8 t -58.62 -44.76 90.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.861 HD12 HD21 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -57.09 -34.98 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 19.1 t80 -60.54 -44.71 95.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -67.11 -32.32 73.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 108.322 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.63 -42.9 93.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.52 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 2.0 t-80 -80.26 -18.69 48.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.629 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.609 ' CG ' ' CD1' ' A' ' 92' ' ' ILE . 29.3 tp60 -84.99 -19.81 31.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 88.11 11.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.799 HG22 HG13 ' A' ' 94' ' ' VAL . 0.9 OUTLIER -75.5 141.85 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -99.3 106.06 18.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.799 HG13 HG22 ' A' ' 92' ' ' ILE . 22.5 m -115.25 173.8 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -112.84 -69.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -107.09 171.52 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.799 HG22 ' CG ' ' A' ' 80' ' ' ASN . 99.4 m -59.97 -44.3 94.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.453 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -35.47 72.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.66 -31.73 72.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.849 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -67.5 -40.75 85.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.845 HD13 ' OD1' ' A' ' 80' ' ' ASN . 1.0 OUTLIER -56.47 -46.27 80.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -72.5 -38.77 68.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.707 ' HG2' HG12 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -66.5 -62.76 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.011 HD13 ' HB1' ' A' ' 83' ' ' ALA . 3.2 pt -55.66 -27.73 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 7.2 mt-10 -58.65 -54.05 51.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.3 -50.59 73.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -52.01 -51.02 60.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -55.33 -52.83 62.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.262 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -53.04 -43.87 66.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -55.47 34.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.12 -50.67 47.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.964 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -57.32 11.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -48.54 -40.84 28.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -42.49 95.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.46 -67.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -48.52 -42.63 33.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.085 . . . . 0.0 110.247 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.415 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 8.3 tm0? -58.76 -54.94 41.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.38 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.761 ' O ' HG23 ' A' ' 122' ' ' THR . . . -52.86 -49.39 65.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.03 79.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.36 2.0 26.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.74 -8.45 14.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 118' ' ' ALA . 45.8 p -115.81 65.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -89.17 58.02 3.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.604 1.19 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -164.81 92.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 0.755 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.42 167.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.9 128.49 4.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.76 137.69 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.6 p -171.95 146.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.7 p 178.39 151.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.22 156.85 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -178.87 150.82 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -174.38 92.24 0.32 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -179.16 4.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.3 tt -165.22 149.92 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.361 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.4 m -147.25 173.24 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -176.68 149.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 176.39 124.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.94 170.94 11.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 61.66 143.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 138.75 99.76 0.48 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.04 171.41 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.6 159.68 41.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.474 HG22 ' H ' ' A' ' 144' ' ' HIS . 8.9 p -119.1 168.92 10.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.519 ' HB3' HD13 ' A' ' 247' ' ' ILE . 8.2 p-80 -66.68 125.35 25.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.617 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.91 113.06 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.8 166.66 23.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.543 HG12 HG21 ' A' ' 151' ' ' THR . 2.2 tt -98.48 143.55 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.403 1.064 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.842 ' O ' HG22 ' A' ' 151' ' ' THR . 0.0 OUTLIER -85.65 154.92 59.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.957 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.696 ' HA ' HD12 ' A' ' 152' ' ' LEU . 18.4 Cg_endo -74.95 -16.85 20.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -65.2 -38.72 91.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.996 ' OG1' HD22 ' A' ' 175' ' ' LEU . 3.3 t -73.3 -32.54 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.437 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 156' ' ' VAL . 5.8 mt -71.94 -44.19 64.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -72.35 -38.44 68.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.38 -48.86 73.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 109.219 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' TRP . . . . . 0.675 ' CZ2' HG23 ' A' ' 191' ' ' VAL . 9.8 t90 -62.12 -43.95 97.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 108.039 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 152' ' ' LEU . 7.0 t -44.79 -43.84 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -69.64 -36.42 76.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 155' ' ' TRP . 4.3 t -63.38 -37.48 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.536 HG23 ' CD1' ' A' ' 155' ' ' TRP . 59.0 t -65.88 -32.09 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -19.69 59.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -102.36 -82.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.71 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 2.9 mptt -63.45 -67.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.96 -47.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.703 ' O ' HG22 ' A' ' 274' ' ' VAL . 1.9 p90 -167.79 66.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.78 171.91 4.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -19.18 18.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.71 1.86 49.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.921 HG22 ' CE1' ' A' ' 172' ' ' PHE . 0.4 OUTLIER -102.88 -34.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.612 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 0.5 OUTLIER -55.59 -46.36 99.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.309 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.0 -33.58 4.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.402 ' C ' ' SD ' ' A' ' 171' ' ' MET . 3.1 tmm? -61.51 -44.32 97.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' PHE . . . . . 0.921 ' CE1' HG22 ' A' ' 168' ' ' VAL . 15.8 m-30 -61.93 -44.25 97.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' SER . . . . . 0.896 ' HB3' HD11 ' A' ' 267' ' ' ILE . 11.8 p -71.15 -25.79 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.96 92.62 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.996 HD22 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.25 -31.92 55.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.717 ' OG ' HD21 ' A' ' 184' ' ' LEU . 2.9 t -84.21 7.21 19.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.953 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -45.15 101.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 63.68 52.63 44.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -94.06 -175.35 3.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.973 HG21 HD11 ' A' ' 247' ' ' ILE . 0.7 OUTLIER -115.9 -171.22 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.425 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 181' ' ' PRO . . . . . 0.615 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.1 Cg_endo -75.02 -38.97 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -68.98 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.436 ' OD1' ' C ' ' A' ' 183' ' ' ASP . 0.0 OUTLIER -44.89 -40.66 6.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.717 HD21 ' OG ' ' A' ' 176' ' ' SER . 47.0 mt -70.45 -41.95 72.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -55.28 -42.84 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.616 ' CG2' HD21 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -66.45 -42.01 88.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 110.384 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.54 ' SD ' ' CZ3' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -61.38 -45.42 94.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.567 HD12 ' HH2' ' A' ' 155' ' ' TRP . 1.3 mp -79.61 -4.39 51.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -94.6 -18.51 21.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.527 ' HB ' HD22 ' A' ' 152' ' ' LEU . 1.5 t -97.18 -22.05 16.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.825 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -50.03 179.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 192' ' ' GLY . . . . . 0.438 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -172.59 52.93 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 193' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -99.03 23.11 37.76 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 1.7 t-80 90.02 131.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -57.83 -37.36 73.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.32 -49.37 74.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.17 75.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 198' ' ' MET . . . . . 0.825 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.1 -33.22 68.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -65.03 -47.88 75.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.182 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 28.2 mtm -58.86 -46.34 88.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' LEU . . . . . 0.702 HD13 ' HA3' ' A' ' 269' ' ' GLY . 2.3 tp -67.2 -38.68 85.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -55.98 -39.52 71.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 203' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 1.2 tt0 -66.82 -37.02 83.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.262 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -36.53 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.48 HD11 HD11 ' A' ' 201' ' ' LEU . 7.7 mt -70.02 -56.36 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.16 -42.88 86.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 31.5 tt0 -65.87 -29.66 70.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.44 -38.97 91.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.447 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -68.67 -49.09 61.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.25 -48.07 74.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.092 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.93 -36.58 82.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 212' ' ' TRP . . . . . 0.629 ' CE3' HD21 ' A' ' 215' ' ' LEU . 58.2 t-105 -58.72 -50.02 75.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.59 -33.24 66.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -59.48 -41.99 91.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 215' ' ' LEU . . . . . 0.629 HD21 ' CE3' ' A' ' 212' ' ' TRP . 2.7 pp -89.78 0.04 57.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.12 98.15 37.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.6 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 86.25 1.44 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 70.7 t -115.39 98.55 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.396 1.06 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 219' ' ' HIS . . . . . 0.555 ' O ' ' HB3' ' A' ' 220' ' ' ALA . 0.1 OUTLIER -139.17 -177.81 5.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.605 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 220' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 219' ' ' HIS . . . 74.06 112.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 60.04 124.26 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 222' ' ' PRO . . . . . 0.432 ' O ' ' CG1' ' A' ' 223' ' ' ILE . 18.5 Cg_endo -74.96 54.53 3.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.536 1.808 . . . . 0.0 111.056 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 223' ' ' ILE . . . . . 0.699 HG21 ' CG ' ' A' ' 229' ' ' ARG . 5.7 pt 48.74 -175.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.974 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -103.31 159.18 30.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.26 2.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 93.75 -23.24 31.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.974 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 38.9 mm-40 -76.66 117.65 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 228' ' ' MET . . . . . 0.593 ' HB3' ' CZ2' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -66.02 119.07 10.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 0.699 ' CG ' HG21 ' A' ' 223' ' ' ILE . 0.0 OUTLIER -95.03 -176.71 3.92 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 230' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 229' ' ' ARG . 1.5 mp0 -33.41 137.83 0.28 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 231' ' ' PRO . . . . . 0.902 ' CG ' HG21 ' A' ' 256' ' ' ILE . 18.0 Cg_endo -75.11 88.17 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.759 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 232' ' ' ARG . . . . . 0.544 ' NH2' HG21 ' A' ' 240' ' ' THR . 1.3 ptt180 -86.13 -175.55 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 233' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -72.07 -39.02 59.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 234' ' ' SER . . . . . 0.83 ' O ' HG22 ' A' ' 239' ' ' THR . 0.9 OUTLIER -65.46 -52.45 52.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 110.01 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -59.77 -44.44 93.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 236' ' ' ILE . . . . . 0.691 HG12 HG22 ' A' ' 258' ' ' VAL . 52.1 mt -60.32 -21.01 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 237' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -79.41 -22.09 44.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 93.14 21.72 29.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 239' ' ' THR . . . . . 0.83 HG22 ' O ' ' A' ' 234' ' ' SER . 4.5 t -75.68 -37.03 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 240' ' ' THR . . . . . 0.819 HG23 HG23 ' A' ' 239' ' ' THR . 72.0 p -123.36 -1.99 8.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.35 140.4 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 242' ' ' THR . . . . . 0.588 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.4 OUTLIER -89.82 176.69 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 243' ' ' LEU . . . . . 0.643 HD22 HD12 ' A' ' 247' ' ' ILE . 3.2 tm? -69.67 -53.1 20.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -53.88 -56.39 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.4 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.55 ' H ' HG22 ' A' ' 242' ' ' THR . 5.7 mt-10 -60.32 -33.21 72.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.247 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 246' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 242' ' ' THR . 8.5 mm-40 -64.0 -65.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 247' ' ' ILE . . . . . 0.973 HD11 HG21 ' A' ' 180' ' ' THR . 0.7 OUTLIER -45.0 -37.03 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -65.64 -36.03 91.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 249' ' ' TRP . . . . . 0.593 ' CZ2' ' HB3' ' A' ' 228' ' ' MET . 0.3 OUTLIER -73.28 -47.77 40.21 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.9 ptp -68.74 -13.52 62.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 251' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 251' ' ' THR . 98.6 m -118.29 21.9 12.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 252' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 255' ' ' PRO . 1.2 t-80 -89.41 176.53 6.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.531 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 253' ' ' ASN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 4.8 t30 -125.39 111.43 26.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 254' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -74.95 155.0 99.99 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.967 -0.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 255' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.08 120.05 5.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 256' ' ' ILE . . . . . 0.902 HG21 ' CG ' ' A' ' 231' ' ' PRO . 11.2 mt -81.32 136.18 49.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 257' ' ' PRO . . . . . 0.692 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.1 Cg_endo -75.06 53.45 3.37 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 258' ' ' VAL . . . . . 0.691 HG22 HG12 ' A' ' 236' ' ' ILE . 2.2 t -65.39 -63.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 259' ' ' GLY . . . . . 0.406 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.13 -39.69 97.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -65.02 -35.42 81.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 110.362 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 261' ' ' ILE . . . . . 0.692 HD12 ' O ' ' A' ' 257' ' ' PRO . 6.8 mt -64.73 -43.39 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 262' ' ' TYR . . . . . 0.582 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.4 t80 -64.45 -47.35 79.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 263' ' ' LYS . . . . . 0.76 ' HE3' HD13 ' A' ' 267' ' ' ILE . 0.0 OUTLIER -56.86 -43.88 81.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.372 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -56.72 -34.09 67.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.662 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 46.7 m0 -62.5 -47.83 82.22 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 266' ' ' ILE . . . . . 0.878 HG22 HD11 ' A' ' 270' ' ' LEU . 72.1 mt -57.53 -46.97 86.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.896 HD11 ' HB3' ' A' ' 173' ' ' SER . 0.6 OUTLIER -60.01 -31.16 47.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -57.43 12.84 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.397 1.06 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 269' ' ' GLY . . . . . 0.702 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -61.96 -59.0 10.31 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 0.0 111.061 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 270' ' ' LEU . . . . . 0.878 HD11 HG22 ' A' ' 266' ' ' ILE . 11.0 mt -42.6 -28.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 271' ' ' ASN . . . . . 0.416 ' N ' HD11 ' A' ' 169' ' ' ILE . 0.9 OUTLIER -70.47 -47.59 59.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 269' ' ' GLY . 11.1 tttt -67.7 -43.55 79.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 52.1 mt -60.57 -46.18 95.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 274' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 164' ' ' PHE . 38.4 t -62.96 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -67.06 -16.37 64.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -37.88 57.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.83 18.1 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 87.9 p -71.96 113.7 22.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 64.23 6.02 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 3.0 m -156.85 125.85 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 2.7 t -134.47 135.9 42.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.051 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 91.1 mt -141.45 -64.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 51.82 177.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -176.7 99.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.56 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 285' ' ' HIS . . . . . 0.447 ' CG ' ' N ' ' A' ' 286' ' ' HIS . 6.4 t60 -172.35 160.59 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.615 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 286' ' ' HIS . . . . . 0.447 ' N ' ' CG ' ' A' ' 285' ' ' HIS . 13.9 m-70 -142.05 -62.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.582 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 287' ' ' HIS . . . . . 0.533 ' O ' ' CG ' ' A' ' 288' ' ' HIS . 18.7 p-80 -178.7 148.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.607 1.192 . . . . 0.0 109.629 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 288' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 287' ' ' HIS . 7.3 m-70 -171.29 106.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.58 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 18.3 p80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 0.0 109.635 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.093 HG11 HG21 ' A' ' 34' ' ' ILE . 39.5 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.801 HD21 HD11 ' A' ' 85' ' ' LEU . 11.6 mt -103.59 155.42 18.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.15 179.71 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.38 -58.01 16.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.08 -40.83 23.82 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.61 ' OE2' HG12 ' A' ' 88' ' ' VAL . 1.2 mt-10 -58.89 -40.63 84.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.576 HD11 HD13 ' A' ' 31' ' ' LEU . 6.4 tp -66.62 -43.18 85.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 3.1 t70 -56.57 -31.83 64.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -45.31 35.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.833 ' CE3' HD22 ' A' ' 85' ' ' LEU . 27.9 t-105 -56.65 -59.02 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -22.02 58.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 1.1 mmpt? -86.6 46.75 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.466 HD13 HG13 ' A' ' 84' ' ' VAL . 75.8 mt -149.15 119.21 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' CG ' ' HB3' ' A' ' 96' ' ' ASP . 4.4 ptm85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.244 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.523 0.202 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -142.53 168.46 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.576 HD13 HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.06 -28.03 68.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -44.88 95.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -62.95 -36.07 82.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.093 HG21 HG11 ' A' ' 7' ' ' VAL . 5.7 mt -63.54 -50.26 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -57.04 -45.12 83.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -62.44 -39.64 94.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.15 -52.75 64.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.665 ' CB ' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -62.79 -34.86 78.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.72 -41.24 94.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -65.1 -34.91 79.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.889 ' O ' HG12 ' A' ' 46' ' ' VAL . 95.8 mt -61.72 -48.7 79.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -56.92 -32.74 66.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -71.6 -30.24 65.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 53.3 t80 -78.29 2.98 16.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 74.37 34.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.889 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.7 p -124.92 150.24 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -63.85 125.17 87.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.95 18.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.65 -8.1 62.67 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.753 HD12 HD11 ' A' ' 60' ' ' ILE . 22.2 mt -74.25 -24.62 59.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.665 HD23 ' CB ' ' A' ' 38' ' ' SER . 10.5 tp -78.75 -20.71 49.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.79 -22.04 63.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.91 153.99 43.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.504 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 8.0 t -69.87 -29.17 66.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.47 -49.91 65.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -65.71 -35.35 90.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.719 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -64.17 -39.62 94.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -46.05 90.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -59.19 -38.9 80.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.753 HD11 HD12 ' A' ' 50' ' ' LEU . 1.2 mp -67.54 -69.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.525 ' N ' HG22 ' A' ' 60' ' ' ILE . 14.0 tp -43.9 -32.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.79 -48.91 58.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -92.77 20.99 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.275 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.535 HD23 ' CD2' ' A' ' 79' ' ' TYR . 11.9 tp -111.69 -28.45 8.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.602 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -52.75 -45.23 96.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.94 -40.37 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.825 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.2 OUTLIER -68.46 -12.11 60.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.967 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.5 mt -71.12 -43.95 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.16 -7.01 51.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.825 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.15 -5.45 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.618 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.74 -99.38 0.42 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.458 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 26.8 p 167.54 -177.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.09 -41.02 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -71.32 -46.25 61.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.618 HD13 ' CA ' ' A' ' 71' ' ' GLY . 7.1 tt -59.84 -34.26 72.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.512 ' HA ' HD22 ' A' ' 68' ' ' LEU . 2.9 ttm-85 -61.18 -48.93 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.2 -35.2 64.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.713 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -62.32 -47.11 85.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.967 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.5 t80 -62.77 -40.67 98.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.657 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.5 t-20 -62.82 -29.88 71.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.575 HG23 ' HH2' ' A' ' 16' ' ' TRP . 53.5 m -70.01 -46.48 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.719 HG23 ' SG ' ' A' ' 57' ' ' CYS . 7.5 mt -66.18 -43.99 91.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.971 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -49.95 -51.57 40.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.571 HG22 ' HB2' ' A' ' 100' ' ' ALA . 4.2 t -58.62 -43.26 87.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.833 HD22 ' CE3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -56.75 -42.94 80.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -60.81 -32.7 72.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.52 ' HA ' HD12 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -69.87 -39.88 76.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.331 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.61 HG12 ' OE2' ' A' ' 12' ' ' GLU . 43.1 t -64.79 -32.85 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.504 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 23.7 m80 -67.88 -40.22 83.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.618 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.701 ' CB ' HD11 ' A' ' 92' ' ' ILE . 1.7 mm-40 -85.4 -20.13 30.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 87' ' ' CYS . 1.2 ttt180 71.52 48.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.701 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.4 mp -90.29 141.33 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -62.63 106.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 9.1 m -130.62 171.94 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -144.07 -46.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.409 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -122.48 170.87 9.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.657 HG22 ' CG ' ' A' ' 80' ' ' ASN . 85.2 m -59.91 -45.48 92.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -60.41 -31.73 70.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -33.52 76.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.836 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.17 -38.77 78.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.597 HD13 ' OD1' ' A' ' 80' ' ' ASN . 1.1 mp -56.55 -46.65 80.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -72.69 -42.26 64.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.459 ' CG ' HG22 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.58 -62.19 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.971 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.7 pt -55.83 -30.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 3.5 mt-10 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 1.044 HD12 ' OD1' ' A' ' 183' ' ' ASP . 1.2 tt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.91 159.86 53.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.71 14.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.454 1.765 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -65.28 -38.08 89.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.552 HG21 HG12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -73.33 -40.42 64.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.897 ' O ' HG23 ' A' ' 156' ' ' VAL . 17.4 mt -55.1 -43.53 74.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -64.81 -41.41 95.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -57.53 -49.08 77.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.575 ' CZ2' HG22 ' A' ' 159' ' ' VAL . 27.3 t-105 -62.1 -47.28 85.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 152' ' ' LEU . 53.1 t -45.42 -43.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -36.69 83.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 154' ' ' ALA . 90.0 t -63.39 -44.95 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.575 HG22 ' CZ2' ' A' ' 155' ' ' TRP . 94.6 t -61.27 -46.73 96.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.56 -16.51 64.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.364 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.45 -52.66 7.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.649 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -165.09 58.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.733 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -39.02 -47.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -109.68 105.59 14.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.666 ' O ' HG12 ' A' ' 168' ' ' VAL . 44.3 p 179.84 163.52 0.84 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.3 Cg_endo -74.98 -17.54 19.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.74 5.18 52.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.733 HG11 ' O ' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -110.52 -32.93 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.5 mm -56.53 -44.34 99.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.95 -37.45 2.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.469 ' SD ' HG13 ' A' ' 158' ' ' VAL . 0.0 OUTLIER -62.34 -38.02 87.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.547 ' HB2' ' CH2' ' A' ' 155' ' ' TRP . 17.7 t80 -71.26 -44.43 65.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . 0.452 ' HB3' HD11 ' A' ' 267' ' ' ILE . 20.5 p -61.8 -27.5 68.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.57 -45.86 61.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.522 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.12 -10.94 59.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.449 ' HB2' HD23 ' A' ' 184' ' ' LEU . 0.3 OUTLIER -119.6 13.99 12.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 173' ' ' SER . 10.8 pt-20 -42.6 116.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.71 65.28 0.67 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.749 ' HB1' ' OD2' ' A' ' 183' ' ' ASP . . . -103.7 170.65 7.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.725 HG21 HD11 ' A' ' 247' ' ' ILE . 0.8 OUTLIER -94.66 -175.77 0.5 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.38 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.2 Cg_endo -75.01 -37.25 2.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -69.59 -30.52 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 1.044 ' OD1' HD12 ' A' ' 147' ' ' ILE . 3.5 t0 -82.85 -49.31 9.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 180' ' ' THR . 13.1 mt -61.86 -38.22 87.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 181' ' ' PRO . 77.6 m-20 -64.7 -42.37 95.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.891 HG22 HD21 ' A' ' 152' ' ' LEU . 0.7 OUTLIER -61.28 -47.64 85.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.414 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.571 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -63.06 -44.93 94.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 201' ' ' LEU . 0.9 OUTLIER -66.74 -20.46 65.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.79 -48.95 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 187' ' ' MET . 9.2 t -66.74 -18.62 65.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.667 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -51.07 -179.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.459 ' H ' HG22 ' A' ' 191' ' ' VAL . . . 170.44 96.57 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -143.66 -51.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -171.64 118.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.566 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.55 -37.99 74.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.53 -49.39 76.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.646 ' HB1' ' CG2' ' A' ' 273' ' ' ILE . . . -59.32 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.667 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.5 OUTLIER -58.05 -33.35 68.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 111.01 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -62.31 -54.54 39.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.38 -39.52 83.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.869 ' HB2' HD11 ' A' ' 273' ' ' ILE . 1.6 tp -57.64 -42.7 83.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -62.15 -34.44 76.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -66.93 -46.35 75.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -41.35 88.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.767 HD11 ' HA ' ' A' ' 266' ' ' ILE . 15.3 mt -63.56 -55.04 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -58.47 -40.96 84.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.11 -29.72 70.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 265' ' ' TRP . 0.6 OUTLIER -63.07 -40.92 99.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.76 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -66.15 -50.21 64.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.02 75.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.61 -39.82 95.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . 0.759 ' CE3' HD11 ' A' ' 215' ' ' LEU . 38.6 t-105 -57.69 -59.43 5.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 108.003 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -56.37 -33.68 65.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.12 -41.91 93.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.253 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . 0.759 HD11 ' CE3' ' A' ' 212' ' ' TRP . 2.9 pp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . 0.505 ' HG3' ' CD2' ' A' ' 249' ' ' TRP . 18.3 Cg_endo -74.96 141.95 27.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.54 1.81 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.69 175.86 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.76 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -45.79 -38.27 7.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . 0.561 ' O ' ' HB3' ' A' ' 237' ' ' ALA . 7.0 m -66.65 -43.19 85.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.6 -47.37 85.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.496 HG12 HG22 ' A' ' 258' ' ' VAL . 32.7 mt -60.65 -23.61 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -73.61 -22.77 59.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 99.16 17.66 26.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.24 -38.31 15.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 0.788 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 240' ' ' THR . 43.9 m -111.52 6.36 20.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 18.3 t -146.41 143.18 28.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . 0.552 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -91.06 174.12 7.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.563 HD22 HD12 ' A' ' 247' ' ' ILE . 3.0 tm? -57.48 -53.31 59.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -52.39 44.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.54 71.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . 0.461 ' HG3' ' CG1' ' A' ' 258' ' ' VAL . 1.8 tp60 -65.17 -66.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.725 HD11 HG21 ' A' ' 180' ' ' THR . 1.0 OUTLIER -48.25 -42.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.69 -51.43 58.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . 0.505 ' CD2' ' HG3' ' A' ' 231' ' ' PRO . 0.0 OUTLIER -58.7 -32.84 69.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 21.0 mtm -69.89 -41.34 74.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 13.8 t -100.75 22.43 12.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.2 OUTLIER -80.79 169.8 17.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 21.6 m-80 -121.62 111.43 33.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.97 159.3 98.2 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.996 -0.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -75.03 129.27 12.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . 0.551 HG23 ' HD2' ' A' ' 257' ' ' PRO . 4.2 mt -103.5 137.99 19.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 256' ' ' ILE . 18.1 Cg_endo -75.07 55.4 3.97 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.496 HG22 HG12 ' A' ' 236' ' ' ILE . 2.3 t -61.68 -64.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.65 97.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.8 -38.35 85.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.696 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 11.4 mt -64.46 -45.64 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . 0.519 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.2 t80 -65.15 -39.85 93.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.05 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.416 ' HE2' ' N ' ' A' ' 264' ' ' ARG . 1.1 ttpt -61.82 -44.55 96.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.416 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -62.96 -31.65 72.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.696 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 53.7 m0 -61.81 -48.14 81.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 108.027 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.8 HG22 ' CD1' ' A' ' 270' ' ' LEU . 69.0 mt -57.52 -46.05 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 173' ' ' SER . 0.5 OUTLIER -59.72 -36.27 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -53.53 57.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.774 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.55 -60.38 7.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.8 ' CD1' HG22 ' A' ' 266' ' ' ILE . 13.3 mt -45.95 -31.88 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -46.96 84.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.2 OUTLIER -69.2 -37.52 78.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 0.869 HD11 ' HB2' ' A' ' 201' ' ' LEU . 52.0 mt -60.93 -45.67 97.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.626 HG22 ' N ' ' A' ' 165' ' ' SER . 40.3 t -69.11 -45.55 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -16.39 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 2.8 mtt -93.79 -37.86 11.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.72 18.55 14.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.0 150.18 92.52 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.068 HG11 HG21 ' A' ' 34' ' ' ILE . 19.3 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.593 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 10.3 mt -104.11 151.14 23.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.83 179.57 7.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.401 1.063 . . . . 0.0 109.983 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.69 -57.63 18.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.054 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -41.15 27.13 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.23 -39.33 82.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.71 HD21 HD21 ' A' ' 31' ' ' LEU . 8.4 tp -67.5 -40.5 85.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 23.3 t0 -55.88 -32.04 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -45.14 34.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.792 ' CE3' HD12 ' A' ' 85' ' ' LEU . 56.4 t-105 -56.38 -61.15 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 107.995 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -21.14 57.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 12.8 tttt -91.05 39.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.837 HD13 HG13 ' A' ' 84' ' ' VAL . 56.4 mt -141.59 136.8 31.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.418 1.074 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.525 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 1.2 m-85 . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.488 0.185 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -141.01 167.24 22.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.71 HD21 HD21 ' A' ' 13' ' ' LEU . 2.6 mm? -61.66 -28.03 69.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -44.74 95.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -62.8 -37.13 85.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.561 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.068 HG21 HG11 ' A' ' 7' ' ' VAL . 5.1 mt -62.17 -49.71 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.41 -43.5 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -62.64 -40.59 97.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.504 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.16 -52.76 64.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -34.82 76.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.053 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 -60.67 -41.11 94.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.82 -34.82 79.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.958 ' O ' HG12 ' A' ' 46' ' ' VAL . 42.5 mt -58.58 -49.92 75.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -57.01 -39.43 74.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -35.78 78.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.216 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.549 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 17.4 t80 -76.01 -1.23 24.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 74.49 40.55 0.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.958 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.8 p -125.06 150.11 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.02 129.0 93.68 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.79 18.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.35 -8.98 60.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -72.33 -39.89 67.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.527 0.781 . . . . 0.0 109.25 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.636 HD11 HD22 ' A' ' 85' ' ' LEU . 8.8 tp -66.94 -10.71 51.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.19 -21.89 36.25 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.8 154.35 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.432 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.54 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 96.2 p -70.01 -29.2 66.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.1 -50.08 65.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.535 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -69.99 -37.38 73.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.421 1.076 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.822 ' SG ' HG23 ' A' ' 82' ' ' ILE . 4.6 t -64.07 -39.13 93.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -60.03 -46.04 90.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.98 -28.67 69.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.647 HG22 ' N ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -71.17 -71.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.647 ' N ' HG22 ' A' ' 60' ' ' ILE . 13.9 tp -46.43 -31.07 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.18 -49.08 42.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.25 18.6 5.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.514 HD23 ' CD2' ' A' ' 79' ' ' TYR . 14.6 tp -112.12 -26.97 8.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.6 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 5.3 tm0? -52.86 -45.15 97.61 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.274 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -74.97 -40.36 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.815 ' HA ' HG22 ' A' ' 70' ' ' THR . 70.5 m -68.31 -11.95 60.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.051 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.963 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.5 mt -71.14 -43.99 66.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.67 -7.48 52.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.815 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.2 t -120.31 -5.5 9.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.405 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.599 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.1 -98.46 0.38 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.497 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 32.8 p 166.4 -177.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.946 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -59.22 -41.01 87.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.21 -46.58 60.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.599 HD13 ' CA ' ' A' ' 71' ' ' GLY . 7.2 tt -59.91 -34.31 73.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.522 ' HA ' HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -60.98 -49.51 77.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -35.23 64.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.661 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -62.08 -47.16 85.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.963 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -62.65 -42.48 99.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.656 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.5 t-20 -60.36 -31.79 70.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.717 HG23 ' HH2' ' A' ' 16' ' ' TRP . 23.6 m -69.17 -45.08 70.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.394 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.822 HG23 ' SG ' ' A' ' 57' ' ' CYS . 23.3 mt -67.54 -38.58 80.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.979 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -52.17 -55.35 21.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.837 HG13 HD13 ' A' ' 19' ' ' ILE . 2.6 t -58.71 -41.11 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.792 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -57.35 -37.89 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.495 ' O ' ' CD2' ' A' ' 89' ' ' HIS . 37.8 t80 -59.83 -54.96 40.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -58.5 -36.01 73.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -63.65 -40.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 0.0 OUTLIER -55.97 -40.2 72.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.522 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.518 ' HG2' ' CE1' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -86.8 -17.19 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 81.24 40.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.25 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.834 HG22 HG13 ' A' ' 94' ' ' VAL . 1.3 mp -75.91 141.23 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -69.95 101.51 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.834 HG13 HG22 ' A' ' 92' ' ' ILE . 16.8 m -140.81 153.64 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -147.58 19.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.517 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 15.8 t70 -164.41 149.2 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.656 HG22 ' CG ' ' A' ' 80' ' ' ASN . 7.9 m -60.75 -35.12 75.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.517 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 11.5 tttt -69.56 -34.07 73.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -42.49 98.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -68.98 -38.99 79.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.534 HD13 ' OD1' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -56.72 -45.63 81.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.82 -41.87 64.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -62.45 1.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.979 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pt -56.09 -28.04 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 5.8 mt-10 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 110.255 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.562 ' CG2' HG21 ' A' ' 186' ' ' THR . 1.6 tt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.3 160.93 53.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.967 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -23.49 13.83 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -37.12 85.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.554 HG21 HG12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -75.5 -32.7 60.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.431 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.878 ' O ' HG23 ' A' ' 156' ' ' VAL . 26.6 mt -64.95 -43.18 93.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.82 -43.77 78.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.18 -49.19 76.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.591 ' CE2' HG23 ' A' ' 159' ' ' VAL . 19.3 t-105 -62.14 -48.77 78.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 152' ' ' LEU . 39.7 t -47.46 -43.55 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.69 -33.41 72.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.552 HG11 ' HG2' ' A' ' 171' ' ' MET . 84.7 t -75.04 -37.87 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.678 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 6.4 t -63.41 -42.29 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.62 -35.68 52.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.389 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.55 -27.8 66.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.717 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -129.47 -76.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.221 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.52 -47.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 277' ' ' TYR . 32.2 p90 -150.77 112.58 4.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.578 1.174 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.615 ' N ' HG22 ' A' ' 274' ' ' VAL . 41.7 p -179.55 161.74 0.93 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.3 Cg_endo -74.94 -18.07 19.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.585 1.834 . . . . 0.0 111.052 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.6 2.34 56.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.248 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -108.31 -33.67 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.3 mm -51.57 -45.53 90.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.12 -34.71 3.52 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.439 1.758 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.552 ' HG2' HG11 ' A' ' 158' ' ' VAL . 9.8 tpt -61.97 -37.59 85.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.857 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 64.9 t80 -62.47 -44.37 96.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 20.8 t -62.86 -30.24 71.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.71 89.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -76.87 -10.08 59.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.472 ' CB ' HD21 ' A' ' 184' ' ' LEU . 3.8 t -108.39 14.1 25.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -43.25 111.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 40.07 64.18 1.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.7 -175.6 2.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 0.789 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.908 HG21 HD11 ' A' ' 247' ' ' ILE . 0.2 OUTLIER -115.35 -174.12 0.27 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.627 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.5 Cg_endo -74.93 -40.99 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 185' ' ' ASN . 3.4 tt0 -69.25 -64.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.88 -42.66 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 180' ' ' THR . 55.6 mt -70.25 -39.22 75.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 182' ' ' GLN . 1.1 t30 -55.16 -41.1 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.798 ' CG2' HD21 ' A' ' 152' ' ' LEU . 0.4 OUTLIER -65.41 -43.7 89.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.477 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.556 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.6 OUTLIER -61.6 -45.49 93.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.461 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 1.0 OUTLIER -67.04 -17.73 65.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -79.82 -48.87 12.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.405 ' CG2' HD22 ' A' ' 152' ' ' LEU . 8.3 t -71.24 -8.42 53.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.398 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.646 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.5 OUTLIER -52.3 -176.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.509 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -165.69 56.49 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . 0.7 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -114.24 31.67 6.34 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 76.58 134.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 0.729 . . . . 0.0 109.615 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -60.36 -38.1 82.78 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.32 77.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.2 -48.82 80.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.646 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.1 OUTLIER -57.88 -38.42 75.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 0.0 110.976 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -60.37 -54.52 44.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 33.4 ttp -58.82 -29.12 66.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 1.034 HD13 HD11 ' A' ' 273' ' ' ILE . 0.9 OUTLIER -65.54 -36.88 85.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.213 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 2.1 ttpt -68.73 -29.8 68.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 0.1 OUTLIER -67.27 -46.9 72.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -48.93 34.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.868 HD11 ' HA ' ' A' ' 266' ' ' ILE . 23.5 mt -59.03 -55.83 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.369 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 55.3 t30 -58.47 -38.81 78.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 2.7 tm-20 -65.62 -29.36 69.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . 0.635 ' OE1' HD22 ' A' ' 268' ' ' LEU . 1.0 OUTLIER -65.42 -38.59 90.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.242 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.743 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -71.72 -49.91 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.5 -48.08 75.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . 0.442 ' O ' HD12 ' A' ' 215' ' ' LEU . 6.8 tt0 -67.69 -36.91 81.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -57.73 -61.68 2.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 107.971 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -56.44 -33.32 65.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -59.2 -35.54 73.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.563 1.164 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 211' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 137.7 22.13 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.433 1.754 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.09 -178.56 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.236 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.743 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -53.41 -38.84 58.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 13.2 t -63.19 -41.64 99.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.958 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.19 -38.23 90.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.706 HG12 HG23 ' A' ' 258' ' ' VAL . 24.2 mt -60.44 -29.08 43.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.9 -23.09 61.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.182 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 95.35 21.0 25.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.36 -38.27 16.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 24.4 m -102.45 -1.67 30.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 44.4 t -142.15 151.82 42.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . 0.583 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -90.05 176.03 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 110.445 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.583 ' N ' HG23 ' A' ' 242' ' ' THR . 3.0 tm? -67.18 -50.59 60.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -51.61 -53.6 36.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . 0.456 ' H ' HG22 ' A' ' 242' ' ' THR . 2.3 mm-40 -61.05 -31.43 71.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . 0.492 ' CG ' HG11 ' A' ' 258' ' ' VAL . 0.0 OUTLIER -63.95 -67.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.908 HD11 HG21 ' A' ' 180' ' ' THR . 1.0 OUTLIER -46.54 -40.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.42 -50.05 71.83 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.566 1.166 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . 0.535 ' CD1' HD13 ' A' ' 256' ' ' ILE . 0.7 OUTLIER -62.62 -31.58 72.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . 0.418 ' HG3' HG12 ' A' ' 258' ' ' VAL . 7.7 mtm -66.94 -23.64 65.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 15.1 t -117.9 21.82 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.427 ' O ' ' CA ' ' A' ' 255' ' ' PRO . 49.7 t-80 -93.32 172.4 8.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.51 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 32.2 t-20 -119.69 114.15 34.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.36 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.51 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -74.96 159.21 98.34 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 120.994 -2.503 . . . . 0.0 111.01 0.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.427 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.07 121.11 6.35 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.483 1.78 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . 0.535 HD13 ' CD1' ' A' ' 249' ' ' TRP . 5.9 mt -90.02 116.42 66.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.822 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.2 Cg_endo -74.98 55.74 4.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.531 1.806 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.706 HG23 HG12 ' A' ' 236' ' ' ILE . 0.3 OUTLIER -59.84 -44.29 93.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . 0.416 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -69.81 -39.02 76.6 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.72 -32.42 70.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.299 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.822 HD12 ' O ' ' A' ' 257' ' ' PRO . 4.7 mt -73.04 -46.18 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . 0.627 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 8.5 t80 -65.35 -48.47 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.711 ' HA ' HD12 ' A' ' 266' ' ' ILE . 0.0 OUTLIER -56.33 -38.8 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 2.7 mtt-85 -62.76 -36.44 83.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.244 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.474 ' CH2' ' HB2' ' A' ' 209' ' ' ALA . 54.7 m0 -62.01 -43.59 98.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.031 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.926 HG22 HD11 ' A' ' 270' ' ' LEU . 36.1 mt -57.17 -47.54 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -28.83 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . 0.635 HD22 ' OE1' ' A' ' 208' ' ' GLU . 0.0 OUTLIER -61.3 -57.65 11.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.544 ' C ' HD11 ' A' ' 201' ' ' LEU . . . -62.17 -57.26 17.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.926 HD11 HG22 ' A' ' 266' ' ' ILE . 11.1 mt -45.98 -35.66 4.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -40.18 96.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 269' ' ' GLY . 54.1 tttt -69.14 -37.74 78.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 1.034 HD11 HD13 ' A' ' 201' ' ' LEU . 35.9 mt -62.29 -46.18 97.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.615 HG22 ' N ' ' A' ' 165' ' ' SER . 77.3 t -68.73 -41.8 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -16.38 64.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.0 -37.87 12.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 0.569 ' HB3' ' CD2' ' A' ' 164' ' ' PHE . 0.7 OUTLIER -99.23 14.65 28.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.46 154.96 71.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.049 HG11 HG21 ' A' ' 34' ' ' ILE . 3.6 t . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.562 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.8 mt -106.81 153.96 21.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.11 179.82 7.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.052 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.93 -57.57 19.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.78 -39.49 24.6 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.03 -38.41 79.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.554 ' CD1' HD11 ' A' ' 31' ' ' LEU . 6.5 tp -72.03 -34.79 69.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -31.55 70.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.521 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -78.17 -44.48 25.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.901 ' CH2' HG23 ' A' ' 81' ' ' THR . 64.0 t-105 -56.43 -48.6 76.65 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.91 -21.75 63.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -92.61 41.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.645 HD11 HG23 ' A' ' 94' ' ' VAL . 67.9 mt -148.01 125.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.793 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.46 0.172 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.97 165.59 26.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 13' ' ' LEU . 2.6 mm? -61.83 -28.34 69.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -61.95 -44.24 97.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -62.91 -37.74 88.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.604 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.049 HG21 HG11 ' A' ' 7' ' ' VAL . 6.6 mt -61.2 -50.1 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.7 -43.9 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.462 ' CE2' ' OE1' ' A' ' 40' ' ' GLU . 16.7 t90 -62.55 -40.21 96.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 108.063 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 34' ' ' ILE . . . -59.28 -52.9 63.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.239 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -34.83 76.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.094 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -41.1 95.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' OE1' ' CE2' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -64.74 -34.94 79.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.933 ' O ' HG12 ' A' ' 46' ' ' VAL . 95.5 mt -58.74 -49.63 76.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -39.46 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmt-85 -65.69 -32.91 74.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 37.5 t80 -75.91 -0.04 20.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 73.83 36.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.933 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.8 p -124.74 150.06 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.43 126.27 90.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.71 18.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.573 1.828 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.43 -9.62 61.65 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.831 HD12 HD11 ' A' ' 60' ' ' ILE . 25.6 mt -72.96 -33.39 65.84 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.821 HD11 HD22 ' A' ' 85' ' ' LEU . 13.2 tp -70.55 -19.69 62.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.42 -22.12 63.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.95 150.21 48.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.482 ' CB ' ' CG ' ' A' ' 89' ' ' HIS . 93.2 p -65.94 -30.58 71.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.059 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.26 -38.58 71.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.492 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -70.39 -43.21 62.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.577 1.173 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.2 p -66.08 -35.73 81.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -59.79 -45.96 90.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.2 -35.66 75.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.831 HD11 HD12 ' A' ' 50' ' ' LEU . 1.2 mp -69.23 -70.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.7 HD11 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -42.83 -36.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.18 -49.22 76.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.16 19.07 7.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.553 HD21 ' CD1' ' A' ' 78' ' ' LEU . 16.4 tp -110.16 -22.62 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.611 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -53.98 -44.84 98.89 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -74.99 -40.07 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.828 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.1 m -68.2 -11.95 60.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.993 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.9 mt -71.13 -43.99 66.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.172 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -73.94 -6.93 50.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.828 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.2 t -120.67 -4.88 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.617 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -81.15 -99.12 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.468 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 22.5 p 166.24 -176.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.021 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -58.73 -41.29 86.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.46 -46.48 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.617 HD13 ' HA2' ' A' ' 71' ' ' GLY . 6.0 tt -59.38 -34.3 72.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.51 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -61.08 -48.25 82.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 t -54.88 -37.62 66.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -59.03 -47.12 86.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.993 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.3 t80 -66.63 -37.65 85.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.755 ' OD1' HD21 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -60.56 -35.89 77.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.901 HG23 ' CH2' ' A' ' 16' ' ' TRP . 13.0 m -70.64 -44.71 66.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.416 HD13 ' CG2' ' A' ' 60' ' ' ILE . 60.5 mt -63.48 -40.25 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 1.066 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -57.52 -53.68 55.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.52 HG22 ' CB ' ' A' ' 100' ' ' ALA . 5.1 t -58.79 -43.72 88.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.821 HD22 HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -57.67 -41.29 81.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 61.7 t80 -62.81 -49.95 72.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.486 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 2.4 p -61.97 -33.58 74.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.521 HG22 ' HB3' ' A' ' 15' ' ' LYS . 3.5 t -60.82 -40.77 86.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.482 ' CG ' ' CB ' ' A' ' 54' ' ' SER . 3.7 t60 -63.09 -34.2 77.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.585 1.178 . . . . 0.0 109.616 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.459 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 3.4 mm-40 -84.84 -19.42 32.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.82 40.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 103' ' ' LYS . 2.6 mp -76.12 141.23 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.72 106.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.645 HG23 HD11 ' A' ' 19' ' ' ILE . 27.2 m -144.51 152.61 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -140.99 12.48 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.389 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -166.4 160.09 15.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.764 ' O ' HD23 ' A' ' 101' ' ' LEU . 54.4 m -60.84 -37.54 82.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -66.4 -31.76 72.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.403 ' HB2' ' CG ' ' A' ' 96' ' ' ASP . 3.8 tp10 -63.01 -41.95 99.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.867 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.03 -43.03 75.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 97' ' ' THR . 4.4 mm? -56.19 -44.21 79.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -73.49 -39.19 65.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.23 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.55 ' HB3' HG21 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -67.13 -61.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.066 HD13 ' HB1' ' A' ' 83' ' ' ALA . 3.8 pt -55.43 -29.81 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 6.0 tt0 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.81 HD12 ' OD1' ' A' ' 183' ' ' ASP . 2.1 tt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.8 164.97 37.37 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 -25.83 11.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.434 1.755 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -65.61 -37.06 85.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.668 HG21 HG12 ' A' ' 147' ' ' ILE . 0.4 OUTLIER -67.41 -37.28 82.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.158 . . . . 0.0 110.361 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 1.002 HD21 HG22 ' A' ' 186' ' ' THR . 28.6 mt -67.76 -43.65 79.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.366 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -67.5 -40.03 85.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -63.21 -48.63 77.49 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.599 ' HE1' HG23 ' A' ' 191' ' ' VAL . 56.6 t-105 -62.03 -44.51 96.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 108.079 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 152' ' ' LEU . 24.6 t -45.41 -43.44 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -35.11 73.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 154' ' ' ALA . 71.3 t -63.43 -37.78 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.931 HG13 ' HB2' ' A' ' 163' ' ' ALA . 60.4 t -63.66 -46.4 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -23.77 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -45.53 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 1.025 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.0 OUTLIER 176.17 69.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.931 ' HB2' HG13 ' A' ' 159' ' ' VAL . . . -35.48 -47.03 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' A' ' 164' ' ' PHE . 11.7 p90 -118.43 142.55 47.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.501 ' N ' HG22 ' A' ' 274' ' ' VAL . 0.0 OUTLIER 170.95 171.57 0.18 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -19.33 17.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -103.85 4.94 35.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 1.025 HG21 ' O ' ' A' ' 162' ' ' LYS . 10.7 t -103.3 -33.71 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 3.2 mm -52.56 -45.45 95.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 109.221 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.89 -36.0 2.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -35.49 79.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.385 1.053 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.806 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 2.2 t80 -64.3 -44.35 91.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.9 p -60.1 -34.0 72.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.99 89.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -11.57 59.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.854 ' OG ' HD21 ' A' ' 184' ' ' LEU . 25.7 t -108.05 13.89 25.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 110.046 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -43.55 102.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 41.84 61.6 2.22 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.565 1.165 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.8 -177.18 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.861 HG21 HD11 ' A' ' 247' ' ' ILE . 1.0 OUTLIER -110.99 -178.39 0.53 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.467 1.105 . . . . 0.0 110.39 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.593 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.4 Cg_endo -74.94 -37.99 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.428 ' CB ' ' HG ' ' A' ' 243' ' ' LEU . 0.6 OUTLIER -69.82 -31.09 68.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.81 ' OD1' HD12 ' A' ' 147' ' ' ILE . 2.3 t0 -79.9 -49.17 12.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.854 HD21 ' OG ' ' A' ' 176' ' ' SER . 47.2 mt -63.3 -37.45 87.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -63.62 -37.06 85.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 1.002 HG22 HD21 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -60.74 -43.55 97.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.44 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.559 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -70.02 -45.24 67.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.634 HD21 ' CE2' ' A' ' 172' ' ' PHE . 13.6 mt -63.04 -22.65 67.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -74.98 -45.34 42.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 187' ' ' MET . 4.8 t -76.91 -9.84 58.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.599 HG23 ' HE1' ' A' ' 155' ' ' TRP . 0.5 OUTLIER -52.63 -175.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.511 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -170.15 56.45 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . 0.596 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -108.29 28.18 12.39 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 79.29 147.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.779 . . . . 0.0 109.661 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -68.96 -38.11 79.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.17 -49.28 76.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.17 -49.8 76.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.579 ' HE2' HG11 ' A' ' 191' ' ' VAL . 2.2 mmt -57.96 -33.44 68.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -61.82 -54.5 41.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 44.7 mtm -58.95 -46.34 88.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.849 ' HB2' HD11 ' A' ' 273' ' ' ILE . 2.6 tp -60.21 -34.36 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -68.38 -41.3 80.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -41.08 88.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.92 -47.99 67.22 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.85 HD11 ' HA ' ' A' ' 266' ' ' ILE . 15.4 mt -61.02 -53.58 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -58.54 -40.84 84.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.251 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.15 -29.54 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -65.03 -34.14 77.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.722 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -71.49 -50.19 33.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.09 80.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.208 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.72 80.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.09 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . 0.969 ' CE3' HD11 ' A' ' 215' ' ' LEU . 59.7 t-105 -57.69 -53.23 60.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -56.16 -33.29 65.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -41.23 91.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . 0.969 HD11 ' CE3' ' A' ' 212' ' ' TRP . 3.3 pp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . 0.573 ' HD2' ' CZ2' ' A' ' 249' ' ' TRP . 18.5 Cg_endo -74.92 -173.69 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 235' ' ' ASP . 1.9 ptp180 -118.25 174.55 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.229 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.722 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -55.09 -35.18 59.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . 0.97 ' O ' HG22 ' A' ' 239' ' ' THR . 0.4 OUTLIER -59.97 -36.25 76.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 109.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . 0.428 ' OD1' ' CG ' ' A' ' 232' ' ' ARG . 1.8 m-20 -67.55 -36.04 80.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.541 HD13 HG21 ' A' ' 261' ' ' ILE . 36.0 mt -60.56 -31.38 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -79.6 -22.27 43.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.22 20.78 29.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . 0.97 HG22 ' O ' ' A' ' 234' ' ' SER . 9.0 t -89.74 -29.76 18.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . 0.862 HG23 HG23 ' A' ' 239' ' ' THR . 25.7 p -116.7 -0.8 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 7.2 p -144.93 153.84 41.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -91.99 167.27 12.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.665 ' CD1' HD13 ' A' ' 247' ' ' ILE . 2.3 tm? -55.98 -48.3 76.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.227 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.14 -47.23 45.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.82 -35.28 77.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . 0.467 ' HG3' ' CG ' ' A' ' 181' ' ' PRO . 24.3 mm100 -64.21 -58.65 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.861 HD11 HG21 ' A' ' 180' ' ' THR . 0.9 OUTLIER -58.75 -39.2 76.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.62 57.72 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . 0.718 ' CZ2' HD13 ' A' ' 256' ' ' ILE . 0.0 OUTLIER -65.67 -31.57 72.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 2.8 mtm -68.54 -22.78 64.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.9 p -118.09 21.97 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.1 OUTLIER -81.54 173.39 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 4.2 m120 -121.92 111.35 32.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -75.05 159.25 98.24 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.018 0.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -74.93 119.95 5.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . 0.718 HD13 ' CZ2' ' A' ' 249' ' ' TRP . 6.0 mt -95.44 128.57 37.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.45 4.26 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.559 1.821 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.485 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.5 OUTLIER -60.48 -44.78 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.21 -34.49 88.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -32.36 71.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 0.741 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.541 HG21 HD13 ' A' ' 236' ' ' ILE . 10.5 mt -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . 0.593 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 12.3 t80 -65.67 -37.96 87.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -60.97 -45.59 94.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.413 ' N ' ' HD2' ' A' ' 263' ' ' LYS . 2.4 ttt180 -64.44 -31.53 72.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 110.226 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.452 ' CH2' ' HB ' ' A' ' 236' ' ' ILE . 46.5 m0 -61.94 -47.48 84.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.019 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.85 ' HA ' HD11 ' A' ' 205' ' ' ILE . 81.6 mt -57.38 -44.78 84.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -35.45 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -54.35 48.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.734 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.36 -60.27 8.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.808 ' CD1' HG22 ' A' ' 266' ' ' ILE . 13.2 mt -45.21 -32.35 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -46.85 84.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 269' ' ' GLY . 16.4 tttt -69.09 -37.58 78.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 0.849 HD11 ' HB2' ' A' ' 201' ' ' LEU . 52.5 mt -62.97 -40.98 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.501 HG22 ' N ' ' A' ' 165' ' ' SER . 22.2 t -71.83 -44.98 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -58.85 -16.36 16.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.75 -37.84 11.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.182 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.47 17.73 15.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.03 150.15 92.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.444 1.76 . . . . 0.0 110.982 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.955 HG11 HG21 ' A' ' 34' ' ' ILE . 3.0 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.596 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -98.2 152.21 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.93 179.65 7.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.007 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.33 -57.91 17.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.564 1.165 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.71 -41.02 25.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.24 -38.93 81.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 0.807 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 9' ' ' SER . 5.3 tp -67.41 -42.82 82.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.55 -32.13 62.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -45.63 41.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.754 ' CH2' HG23 ' A' ' 81' ' ' THR . 68.4 t-105 -57.14 -48.19 79.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.019 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.8 -25.38 67.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -87.62 47.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.394 1.059 . . . . 0.0 109.366 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.9 mm -131.23 141.19 46.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.508 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.514 0.197 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.0 169.56 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -61.04 -28.29 68.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -46.15 91.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -62.93 -35.71 80.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.637 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.955 HG21 HG11 ' A' ' 7' ' ' VAL . 3.5 mt -62.71 -49.46 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.93 -44.28 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.386 1.054 . . . . 0.0 109.332 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.402 ' CZ3' ' HB2' ' A' ' 78' ' ' LEU . 87.2 t90 -62.59 -40.04 95.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.618 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -58.93 -53.11 62.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -34.87 74.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -41.06 94.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.52 -34.86 79.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.86 ' O ' HG12 ' A' ' 46' ' ' VAL . 47.0 mt -58.74 -49.46 77.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -56.93 -41.59 78.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -58.47 -38.15 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.536 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 8.2 t80 -75.98 -7.12 53.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 73.24 48.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.86 HG12 ' O ' ' A' ' 41' ' ' LEU . 10.5 p -124.97 150.08 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -64.11 131.1 94.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.86 18.34 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.93 -12.17 56.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.5 mt -72.64 -40.69 66.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.757 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.604 HD12 ' SG ' ' A' ' 57' ' ' CYS . 9.7 tp -68.57 -9.97 52.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.21 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.38 -22.06 32.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -125.71 152.01 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.455 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.502 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 33.8 t -66.46 -30.94 71.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.24 -49.9 67.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -69.94 -36.07 72.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.604 ' SG ' HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -63.63 -42.59 98.15 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.549 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 1.4 ttp180 -59.98 -37.49 79.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.25 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -38.51 88.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 1.4 mp -63.28 -65.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.85 HD11 ' CE1' ' A' ' 79' ' ' TYR . 9.8 tp -51.7 -27.49 11.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.01 -48.58 25.89 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -90.8 16.22 9.72 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 0.79 . . . . 0.0 110.224 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.505 HD23 ' CD2' ' A' ' 79' ' ' TYR . 20.6 tp -111.95 -25.29 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.6 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.4 tm0? -52.85 -45.41 97.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.7 Cg_endo -74.95 -39.87 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.801 ' HA ' HG22 ' A' ' 70' ' ' THR . 67.3 m -68.48 -12.14 60.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.955 HD11 ' CG ' ' A' ' 79' ' ' TYR . 7.2 mt -71.21 -43.92 66.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.31 -6.67 49.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.37 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.801 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.54 -4.59 9.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.591 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -82.08 -99.86 0.44 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 14.4 p 167.84 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -41.41 87.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -71.58 -46.38 59.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.591 HD13 ' HA2' ' A' ' 71' ' ' GLY . 6.5 tt -59.3 -34.21 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.503 ' HA ' HD22 ' A' ' 68' ' ' LEU . 45.0 ttm180 -61.68 -47.81 83.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -36.38 65.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.946 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.641 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -60.31 -47.31 86.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.955 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.5 t80 -64.52 -42.15 95.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.557 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.1 t-20 -54.99 -33.19 62.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.754 HG23 ' CH2' ' A' ' 16' ' ' TRP . 2.6 m -70.36 -48.28 57.07 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.607 1.192 . . . . 0.0 110.405 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.404 HG22 ' HB2' ' A' ' 61' ' ' LEU . 5.5 mt -63.27 -32.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.96 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -59.63 -56.14 25.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.646 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.9 t -57.81 -42.22 81.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.624 HD12 ' CE3' ' A' ' 16' ' ' TRP . 1.8 tp -56.7 -46.51 81.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.549 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 49.0 t80 -59.75 -33.9 72.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.529 ' SG ' HG11 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -72.67 -35.77 67.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 108.257 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.9 t -65.35 -32.95 60.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 17.7 m-70 -69.14 -38.99 79.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.635 ' CB ' HD11 ' A' ' 92' ' ' ILE . 0.3 OUTLIER -84.88 -20.09 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' CYS . 25.6 ttt180 71.47 47.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.635 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.7 mp -86.25 141.74 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -62.22 105.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.529 HG11 ' SG ' ' A' ' 87' ' ' CYS . 31.1 m -134.38 173.01 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.46 -48.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.81 171.2 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.557 HG22 ' CG ' ' A' ' 80' ' ' ASN . 55.6 m -59.65 -46.83 87.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 110.388 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -31.16 69.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -68.41 -36.26 78.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.865 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.4 -47.22 64.86 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 97' ' ' THR . 1.2 mm? -55.71 -37.69 68.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.9 -47.67 36.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.42 ' HG2' HG22 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -64.47 -57.79 8.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.96 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 2.1 pt -54.88 -30.49 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.763 HD12 ' OD1' ' A' ' 183' ' ' ASP . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.05 160.22 52.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -23.05 14.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.5 -37.31 86.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.735 ' OG1' HD21 ' A' ' 175' ' ' LEU . 0.6 OUTLIER -67.18 -36.77 82.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.968 HD21 HG22 ' A' ' 186' ' ' THR . 26.9 mt -65.61 -42.83 91.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -43.68 80.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.18 77.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.429 ' CE2' HG23 ' A' ' 159' ' ' VAL . 33.1 t-105 -62.27 -46.92 86.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.921 HG23 ' O ' ' A' ' 152' ' ' LEU . 40.7 t -48.28 -43.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -61.51 -36.94 81.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 1.106 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.83 -37.64 73.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.502 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 15.9 t -68.92 -34.52 64.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.09 -40.0 60.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.42 -76.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.704 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 3.0 mmpt? -69.23 -70.9 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.34 -48.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 277' ' ' TYR . 23.6 p90 -162.29 126.68 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.524 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -178.27 170.1 0.86 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.026 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -18.95 18.48 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.561 1.821 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.89 1.54 55.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -104.98 -33.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.2 mm -55.76 -44.52 99.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.01 -35.82 2.9 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.42 1.747 . . . . 0.0 111.083 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.27 -39.67 93.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.489 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 39.8 t80 -66.37 -29.75 69.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.6 p -73.18 -27.08 61.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.56 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.735 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -76.64 -30.39 56.82 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.573 ' HB2' HD21 ' A' ' 184' ' ' LEU . 59.5 p -97.42 13.94 28.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.939 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -41.96 104.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.218 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.23 73.24 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.44 ' HB3' ' HG ' ' A' ' 184' ' ' LEU . . . -104.13 -174.39 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 0.798 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.902 HG21 HD11 ' A' ' 247' ' ' ILE . 1.9 p -103.73 -179.18 0.73 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 110.438 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -38.83 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.58 -36.65 76.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.763 ' OD1' HD12 ' A' ' 147' ' ' ILE . 3.9 t0 -76.7 -48.67 18.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.229 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.573 HD21 ' HB2' ' A' ' 176' ' ' SER . 32.4 mt -59.61 -47.72 84.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -55.46 -36.23 66.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.968 HG22 HD21 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -64.64 -46.89 80.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.434 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.568 ' O ' HG22 ' A' ' 190' ' ' THR . 1.7 ttp -63.36 -45.38 91.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 111.027 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.693 HD22 ' HE1' ' A' ' 198' ' ' MET . 13.1 mt -71.11 -18.94 62.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.03 -45.55 33.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 187' ' ' MET . 13.1 t -71.03 -17.48 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.591 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -51.12 -179.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.466 ' H ' HG22 ' A' ' 191' ' ' VAL . . . 171.15 59.6 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.549 1.156 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -97.21 -52.77 1.43 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.13 130.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 0.785 . . . . 0.0 109.625 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -57.49 -39.72 77.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.97 -49.43 75.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.498 ' HB1' ' CG2' ' A' ' 273' ' ' ILE . . . -59.44 -49.39 77.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.693 ' HE1' HD22 ' A' ' 188' ' ' LEU . 3.7 mmt -58.05 -33.26 68.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -54.44 41.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.231 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -43.85 98.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.717 HD12 ' HA3' ' A' ' 269' ' ' GLY . 2.9 tp -57.61 -37.15 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -68.16 -36.84 80.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.93 -46.46 74.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.54 -48.97 70.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.893 HD11 ' HA ' ' A' ' 266' ' ' ILE . 14.0 mt -58.86 -53.46 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -58.12 -39.01 77.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.22 -29.8 70.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . 0.425 ' HB3' ' CE2' ' A' ' 265' ' ' TRP . 0.0 OUTLIER -66.79 -36.9 83.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.552 ' HB1' ' HA3' ' A' ' 233' ' ' GLY . . . -70.69 -49.76 43.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.92 75.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -34.42 76.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -60.48 -64.86 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -56.16 -33.17 64.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -40.05 88.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . 0.602 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.5 pp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . 0.584 ' HD2' ' CH2' ' A' ' 249' ' ' TRP . 18.3 Cg_endo -74.92 -168.6 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -108.44 176.91 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.552 ' HA3' ' HB1' ' A' ' 209' ' ' ALA . . . -59.87 -37.29 92.34 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 13.6 m -60.11 -29.53 68.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.944 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.3 OUTLIER -74.44 -35.97 63.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.709 HD13 HG21 ' A' ' 261' ' ' ILE . 32.3 mt -60.62 -29.61 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.29 62.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 84.29 23.0 53.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.45 -38.26 13.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 110.41 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 240' ' ' THR . 14.5 m -104.06 -0.54 28.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.408 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . 0.407 ' CB ' ' OD1' ' A' ' 235' ' ' ASP . 2.6 t -135.95 138.35 42.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.33 174.88 8.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.363 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.647 HD13 ' CG1' ' A' ' 247' ' ' ILE . 2.9 tm? -66.27 -59.9 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -49.36 -24.36 1.88 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -49.59 43.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . 0.44 ' OE1' HG13 ' A' ' 258' ' ' VAL . 24.9 mt-30 -69.5 -41.65 75.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.902 HD11 HG21 ' A' ' 180' ' ' THR . 47.5 mm -51.02 -58.54 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . 0.42 ' O ' ' CD2' ' A' ' 252' ' ' HIS . . . -60.19 -44.41 97.43 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . 0.869 ' CZ3' HG21 ' A' ' 256' ' ' ILE . 0.3 OUTLIER -56.0 -31.48 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 7.9 ttm -70.05 -38.86 75.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . 0.4 HG22 ' HA2' ' A' ' 248' ' ' GLY . 14.3 t -105.3 22.38 15.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.6 OUTLIER -85.0 171.8 11.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 66.6 m-80 -121.94 111.2 32.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.1 Cg_endo -75.05 159.21 98.29 Favored 'Cis proline' 0 C--N 1.359 1.082 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.944 0.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . 0.869 HG21 ' CZ3' ' A' ' 249' ' ' TRP . 1.5 mt -95.17 116.37 66.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 54.96 3.83 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.448 1.762 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.633 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.8 OUTLIER -55.76 -40.36 60.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.27 -40.49 98.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.15 -32.35 70.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 110.336 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.709 HG21 HD13 ' A' ' 236' ' ' ILE . 73.0 mt -64.71 -46.6 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -74.77 -39.09 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.483 ' CE ' HD13 ' A' ' 267' ' ' ILE . 0.4 OUTLIER -61.29 -45.6 93.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -62.6 -33.07 74.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.566 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 51.3 m0 -61.97 -47.87 82.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.893 ' HA ' HD11 ' A' ' 205' ' ' ILE . 77.6 mt -57.77 -45.08 87.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.483 HD13 ' CE ' ' A' ' 263' ' ' LYS . 0.8 OUTLIER -59.96 -35.61 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -54.85 42.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.717 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.14 -59.35 9.65 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.83 HD11 HG22 ' A' ' 266' ' ' ILE . 13.6 mt -44.35 -33.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -63.78 -46.47 85.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 269' ' ' GLY . 4.2 tttt -67.9 -37.5 81.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 0.697 HD11 ' HB2' ' A' ' 201' ' ' LEU . 49.8 mt -62.9 -43.02 98.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 165' ' ' SER . 24.8 t -68.99 -46.0 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -58.59 -16.47 15.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 4.2 ttt -93.62 -37.8 11.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 0.554 ' HB3' ' CD1' ' A' ' 164' ' ' PHE . 0.2 OUTLIER -96.77 18.08 15.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 153.13 92.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.428 1.751 . . . . 0.0 111.025 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.04 HG11 HG21 ' A' ' 34' ' ' ILE . 37.0 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.603 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -103.66 155.15 18.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.86 179.95 7.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 0.0 109.975 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.59 -58.03 16.73 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.93 -40.67 20.59 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.78 -39.9 82.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 0.796 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 31' ' ' LEU . 4.0 tp -67.7 -44.18 78.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -55.86 -37.08 68.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -70.31 -45.42 66.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.633 ' CE3' ' CD1' ' A' ' 85' ' ' LEU . 39.1 t-105 -56.29 -53.25 59.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.02 -15.78 57.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.54 10.83 14.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 2.4 mm -95.03 144.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.571 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.501 0.191 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -143.02 172.39 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.41 -27.82 68.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -45.71 92.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -36.01 82.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.6 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.04 HG21 HG11 ' A' ' 7' ' ' VAL . 4.3 mt -63.66 -50.17 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.92 -43.35 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -62.82 -40.61 97.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 107.981 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.788 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.4 -52.56 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.365 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.466 ' HA ' HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -61.55 -34.83 76.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -60.91 -41.04 95.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.326 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -64.63 -36.77 85.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.891 ' O ' HG12 ' A' ' 46' ' ' VAL . 85.5 mt -59.21 -47.48 85.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -57.1 -39.57 75.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -58.15 -38.73 77.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.485 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 27.2 t80 -76.34 -2.81 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 70.72 47.0 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.571 1.169 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.891 HG12 ' O ' ' A' ' 41' ' ' LEU . 7.4 p -124.79 150.03 29.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -64.44 134.38 95.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -18.76 18.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.436 1.756 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.51 -12.36 55.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.496 HD12 HG22 ' A' ' 46' ' ' VAL . 25.0 mt -72.9 -32.86 65.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.495 HD11 ' CD2' ' A' ' 85' ' ' LEU . 10.5 tp -77.87 -16.01 58.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.47 -22.19 54.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.3 p -125.87 152.59 45.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.473 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 1.9 t -67.19 -30.48 70.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.9 -49.81 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.545 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -63.92 -35.06 91.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.413 ' SG ' HD12 ' A' ' 51' ' ' LEU . 3.7 m -63.89 -41.05 97.8 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.0 ttp85 -59.91 -37.8 80.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -65.69 -37.58 86.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.811 HG21 HD13 ' A' ' 82' ' ' ILE . 1.5 mp -75.03 -75.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' A' ' 79' ' ' TYR . 11.5 tp -41.67 -34.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.58 -49.32 74.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.8 OUTLIER -97.6 23.14 8.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.54 HD21 ' CD1' ' A' ' 78' ' ' LEU . 15.0 tp -111.13 -25.68 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.604 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.8 tm0? -53.11 -45.13 98.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.9 -40.3 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.822 ' HA ' HG22 ' A' ' 70' ' ' THR . 19.3 m -68.58 -11.7 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.977 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.7 mt -71.2 -43.71 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -73.72 -7.19 51.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.822 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.4 t -120.84 -4.93 9.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.587 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -80.63 -98.72 0.34 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 0.0 111.066 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.476 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 23.9 p 165.85 -176.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -41.36 88.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 12.4 pt-20 -71.33 -46.05 61.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.587 HD13 ' HA2' ' A' ' 71' ' ' GLY . 6.7 tt -59.98 -34.33 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.501 ' HA ' HD22 ' A' ' 68' ' ' LEU . 75.1 ttt180 -61.01 -48.96 79.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.223 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -37.25 65.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.054 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.637 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -59.77 -47.21 86.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.977 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.9 t80 -65.8 -37.63 86.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.621 ' OD1' HG22 ' A' ' 97' ' ' THR . 0.2 OUTLIER -62.94 -32.03 73.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.788 HG21 ' HB2' ' A' ' 37' ' ' ALA . 1.8 m -70.18 -48.17 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.435 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.811 HD13 HG21 ' A' ' 60' ' ' ILE . 62.9 mt -64.06 -40.55 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.957 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -53.05 -56.59 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.641 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.9 t -58.26 -42.24 83.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.633 ' CD1' ' CE3' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -56.86 -36.69 70.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -59.69 -50.49 73.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.471 ' HB3' HG11 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -62.94 -37.02 85.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.3 t -63.66 -38.2 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 4.3 m-70 -58.03 -40.23 80.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.485 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -91.54 -7.45 50.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 65.31 40.87 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.485 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.5 mp -75.88 141.24 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.96 91.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.239 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 87' ' ' CYS . 29.3 m -110.89 173.41 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -137.37 -77.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.33 170.95 7.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.621 HG22 ' OD1' ' A' ' 80' ' ' ASN . 22.0 m -60.89 -43.05 99.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.371 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -31.69 72.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.13 -31.61 71.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.853 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -70.99 -40.94 71.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 1.9 mp -56.7 -48.0 78.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -72.18 -40.25 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -64.72 -62.48 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.957 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.6 pt -55.97 -28.05 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.506 HG12 HG21 ' A' ' 151' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.04 159.98 53.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.952 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.01 14.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -65.83 -37.33 85.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.506 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -69.07 -32.54 72.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.925 ' O ' HG23 ' A' ' 156' ' ' VAL . 24.1 mt -63.7 -42.69 97.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -68.07 -44.5 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -57.38 -49.01 77.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.688 ' HE1' HG23 ' A' ' 191' ' ' VAL . 26.4 t-105 -62.15 -47.86 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 152' ' ' LEU . 36.1 t -45.62 -43.42 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.44 -36.73 83.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.674 HG11 ' HE2' ' A' ' 171' ' ' MET . 93.1 t -63.37 -44.83 99.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.515 HG22 ' CZ2' ' A' ' 155' ' ' TRP . 92.3 t -58.71 -46.35 90.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -30.61 71.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.72 -56.16 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.705 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -164.4 66.27 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.71 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -38.69 -49.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.402 ' CZ ' ' HA2' ' A' ' 193' ' ' GLY . 1.7 m-85 -110.25 121.83 46.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.586 ' O ' HG12 ' A' ' 168' ' ' VAL . 0.1 OUTLIER 172.98 168.78 0.25 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.982 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.12 18.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.604 1.844 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.77 1.75 53.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.71 HG11 ' O ' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -103.67 -33.9 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 18.5 mm -56.97 -44.49 99.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.0 Cg_endo -75.1 -35.96 2.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.586 1.835 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.674 ' HE2' HG11 ' A' ' 158' ' ' VAL . 1.6 mmm -62.2 -40.89 97.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.932 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 6.8 t80 -69.11 -44.4 72.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.8 p -58.9 -37.56 76.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.64 91.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.432 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -74.21 -13.63 60.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.651 ' HB2' HD21 ' A' ' 184' ' ' LEU . 5.3 p -104.86 14.01 30.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.071 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.23 108.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 39.33 65.83 0.79 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.74 -178.03 3.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.832 HG21 HD11 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -115.25 -174.44 0.27 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.082 . . . . 0.0 110.393 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -41.63 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -34.22 73.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.25 -45.12 27.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.651 HD21 ' HB2' ' A' ' 176' ' ' SER . 19.9 mt -63.84 -40.58 96.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.02 -35.67 77.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.831 HG22 HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -60.86 -46.79 89.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.45 ' CG ' ' CD1' ' A' ' 155' ' ' TRP . 1.6 ttt -70.21 -40.89 74.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.5 mp -71.39 -12.82 61.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -84.73 -48.92 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.545 ' CG2' HD22 ' A' ' 152' ' ' LEU . 4.2 t -81.19 -0.89 42.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.384 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.897 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.9 OUTLIER -59.71 -176.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.565 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -159.21 53.22 0.37 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . 0.752 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -107.54 27.47 15.13 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 74.29 149.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 0.813 . . . . 0.0 109.626 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -37.99 73.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.216 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.42 76.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.752 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.18 -48.91 79.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.897 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.89 -37.83 74.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -54.5 31.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -58.67 -29.43 66.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 1.042 HD13 HD11 ' A' ' 273' ' ' ILE . 0.9 OUTLIER -67.0 -34.34 77.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 3.6 tptm -68.92 -31.22 69.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.23 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 0.4 OUTLIER -67.22 -46.77 72.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -48.7 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.775 HD11 ' HA ' ' A' ' 266' ' ' ILE . 17.3 mt -58.73 -55.03 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 36.8 t-20 -57.87 -40.0 79.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 5.5 mm-40 -65.65 -29.46 70.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 212' ' ' TRP . 0.4 OUTLIER -67.94 -29.35 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.843 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -73.2 -50.21 23.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.16 81.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -65.23 -40.71 94.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . 0.491 ' CB ' ' O ' ' A' ' 208' ' ' GLU . 43.6 t-105 -57.66 -59.93 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 108.025 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.1 -33.07 64.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -59.16 -35.33 73.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 110.293 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . 0.839 ' HB3' HG21 ' A' ' 256' ' ' ILE . 18.1 Cg_endo -75.07 71.97 4.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.41 176.77 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.843 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -77.38 -38.87 27.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.558 1.162 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . 0.646 ' O ' HG22 ' A' ' 239' ' ' THR . 6.3 m -68.3 -47.38 67.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 110.054 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . 0.413 ' OD1' ' HB ' ' A' ' 240' ' ' THR . 0.3 OUTLIER -59.76 -42.34 93.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.847 HG12 HG22 ' A' ' 258' ' ' VAL . 27.2 mt -60.62 -27.79 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -70.9 -21.83 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.38 20.12 30.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 234' ' ' SER . 14.6 t -90.13 -37.67 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . 0.413 ' HB ' ' OD1' ' A' ' 235' ' ' ASP . 20.5 m -101.75 -0.96 33.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.571 1.17 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 4.7 t -145.68 152.54 39.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.043 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . 0.589 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -91.37 175.98 6.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.402 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.598 ' CD1' HD13 ' A' ' 247' ' ' ILE . 3.1 tm? -58.44 -59.13 5.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.57 -50.12 43.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -31.58 71.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . 0.848 ' HG3' HG11 ' A' ' 258' ' ' VAL . 1.9 tp60 -69.56 -70.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.832 HD11 HG21 ' A' ' 180' ' ' THR . 0.8 OUTLIER -40.54 -38.66 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.67 -51.42 58.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . 0.584 ' CZ3' ' CE1' ' A' ' 252' ' ' HIS . 0.7 OUTLIER -61.33 -37.7 84.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 11.3 mtm -61.06 -23.38 65.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.7 p -118.14 22.32 12.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.584 ' CE1' ' CZ3' ' A' ' 249' ' ' TRP . 0.1 OUTLIER -81.41 172.79 13.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.569 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.439 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 1.8 m-20 -122.41 111.01 31.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -75.07 159.15 98.36 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.97 -2.512 . . . . 0.0 111.0 0.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -74.93 119.83 5.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.79 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . 0.839 HG21 ' HB3' ' A' ' 231' ' ' PRO . 7.8 mt -88.94 134.28 33.82 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 256' ' ' ILE . 18.5 Cg_endo -74.97 57.93 4.71 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.848 HG11 ' HG3' ' A' ' 246' ' ' GLN . 2.6 t -62.41 -65.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.06 -33.67 84.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -69.34 -32.33 71.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.688 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 10.1 mt -75.32 -45.32 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . 0.549 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.1 t80 -64.19 -47.37 80.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.49 -38.76 72.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 2.5 mtt180 -66.29 -33.17 75.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.688 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 52.0 m0 -61.92 -45.06 95.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.06 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.932 HG21 ' CZ ' ' A' ' 172' ' ' PHE . 87.6 mt -57.16 -46.65 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -28.75 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -57.04 13.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.533 ' C ' HD11 ' A' ' 201' ' ' LEU . . . -62.15 -56.87 19.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.432 1.083 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.909 HD11 HG22 ' A' ' 266' ' ' ILE . 12.1 mt -45.08 -36.62 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -63.03 -42.1 99.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.5 OUTLIER -67.48 -38.9 85.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 1.042 HD11 HD13 ' A' ' 201' ' ' LEU . 34.2 mt -60.67 -45.77 96.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 270' ' ' LEU . 59.8 t -63.71 -46.03 95.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -59.73 -16.4 27.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 7.7 tpt -97.48 -37.89 9.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.05 17.29 12.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.054 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.01 150.11 92.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.051 HG11 HG21 ' A' ' 34' ' ' ILE . 22.9 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.617 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.6 mt -103.66 152.11 22.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.16 179.51 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.28 -58.41 14.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.33 -41.14 26.64 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.95 -40.11 83.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 0.712 . . . . 0.0 110.323 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 31' ' ' LEU . 5.2 tp -66.02 -44.12 85.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.07 -33.06 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.95 -45.42 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.665 ' CE3' HD12 ' A' ' 85' ' ' LEU . 33.5 t-105 -56.53 -51.84 67.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -26.59 62.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.42 47.27 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.543 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.9 mm -130.91 134.53 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.537 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.508 0.194 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.32 173.31 11.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.608 HD13 HD11 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -61.77 -26.99 68.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -61.72 -44.08 97.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -35.82 82.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.626 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.051 HG21 HG11 ' A' ' 7' ' ' VAL . 4.6 mt -63.6 -50.1 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.7 -43.98 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -62.77 -39.88 95.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 107.972 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.774 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.12 -53.03 63.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.832 ' HA ' HD12 ' A' ' 41' ' ' LEU . 3.9 t -62.46 -34.89 77.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.928 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -41.2 94.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.07 -34.92 79.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.935 ' O ' HG12 ' A' ' 46' ' ' VAL . 46.8 mt -58.02 -50.01 74.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.22 -41.41 79.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.425 1.078 . . . . 0.0 110.338 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -58.22 -37.57 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.469 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 14.4 t80 -75.99 0.15 19.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 69.82 44.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.935 HG12 ' O ' ' A' ' 41' ' ' LEU . 6.7 p -124.97 150.01 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -64.39 129.78 94.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.73 18.47 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.14 -10.06 58.56 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 26.4 mt -72.9 -38.58 66.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.499 HD11 ' CD2' ' A' ' 85' ' ' LEU . 9.2 tp -69.12 -8.93 49.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.43 -21.79 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -125.66 156.44 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.396 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.402 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 95.0 p -70.03 -29.9 67.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -36.74 72.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.687 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -71.81 -43.43 50.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.586 1.179 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.402 ' SG ' ' HA ' ' A' ' 54' ' ' SER . 13.2 p -67.81 -36.16 79.9 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -60.04 -37.55 80.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -69.94 -30.15 67.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.724 HG12 HD22 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -74.6 -75.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.628 ' N ' HG22 ' A' ' 60' ' ' ILE . 10.5 tp -44.21 -36.2 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.31 -49.19 81.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -97.3 21.1 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 110.224 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.492 HD23 ' CD2' ' A' ' 79' ' ' TYR . 13.5 tp -106.63 -25.63 11.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.609 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 7.7 tm0? -53.25 -45.03 98.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.01 -40.6 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.808 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.43 -11.8 60.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.022 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.943 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.2 mt -70.86 -44.1 67.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -7.33 52.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.808 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.8 t -119.82 -5.64 10.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.682 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -80.71 -98.22 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 24.6 p 167.01 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.746 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -61.06 -40.74 94.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 110.235 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -46.93 59.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.682 HD13 ' CA ' ' A' ' 71' ' ' GLY . 8.1 tt -60.72 -34.49 74.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.53 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.22 -43.85 98.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.174 . . . . 0.0 110.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.43 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 7.4 t -61.54 -30.51 70.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.048 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -66.37 -45.93 78.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.943 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -60.54 -42.3 96.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.529 ' ND2' ' C ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -57.69 -36.7 72.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.774 HG21 ' HB2' ' A' ' 37' ' ' ALA . 80.8 m -62.96 -48.38 79.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.478 HD13 ' CG2' ' A' ' 60' ' ' ILE . 7.4 mt -66.36 -36.33 77.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.909 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -56.6 -59.95 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.9 t -58.11 -41.52 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.665 HD12 ' CE3' ' A' ' 16' ' ' TRP . 1.5 mp -56.82 -34.98 68.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -62.48 -47.12 85.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -37.34 85.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.4 t -64.28 -41.66 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -55.79 -40.22 72.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.636 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.455 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 1.6 mm-40 -86.8 -18.33 31.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.402 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.3 OUTLIER 78.08 37.42 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.455 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.4 mp -75.83 141.23 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.95 95.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.427 ' CG2' HD11 ' A' ' 19' ' ' ILE . 7.6 m -110.94 173.65 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -147.01 -51.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.23 170.38 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.519 HG23 HD22 ' A' ' 80' ' ' ASN . 1.3 m -60.39 -45.15 94.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -31.59 69.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.55 -40.59 93.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.821 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.94 -38.53 76.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 1.4 mp -56.68 -46.75 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.5 -41.77 65.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.604 1.19 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -63.32 -62.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.909 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.6 pt -56.22 -28.95 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.919 HD12 ' OD1' ' A' ' 183' ' ' ASP . 1.3 tt . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . 0.651 ' O ' HG22 ' A' ' 151' ' ' THR . 0.0 OUTLIER -87.04 167.13 22.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.14 9.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -37.2 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 148' ' ' SER . 1.5 t -67.14 -32.35 73.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.45 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.917 ' O ' HG23 ' A' ' 156' ' ' VAL . 29.1 mt -69.44 -43.48 73.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -67.74 -43.9 78.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -59.14 -48.91 79.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.526 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 51.7 t-105 -61.99 -45.63 92.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 152' ' ' LEU . 24.3 t -47.25 -43.55 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -68.28 -35.95 78.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 154' ' ' ALA . 75.7 t -63.56 -39.87 86.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.978 HG13 ' HB2' ' A' ' 163' ' ' ALA . 93.4 t -59.87 -46.42 93.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -58.36 -33.55 69.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.253 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.78 -44.4 77.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 163' ' ' ALA . 2.7 mttp 172.42 73.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.978 ' HB2' HG13 ' A' ' 159' ' ' VAL . . . -37.69 -49.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 164' ' ' PHE . 11.5 p90 -107.61 127.99 54.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.529 ' N ' ' CG1' ' A' ' 168' ' ' VAL . 0.0 OUTLIER 170.41 166.38 0.2 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -17.73 19.49 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.416 ' C ' ' HD2' ' A' ' 170' ' ' PRO . 73.8 mt-10 -92.06 -17.66 24.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 165' ' ' SER . 13.8 p -97.09 -34.22 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.701 HG13 HG21 ' A' ' 274' ' ' VAL . 0.8 OUTLIER -48.35 -48.45 66.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.02 -35.15 3.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.459 ' SD ' HG11 ' A' ' 158' ' ' VAL . 0.1 OUTLIER -61.97 -31.85 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.725 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 5.7 t80 -72.36 -44.41 62.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -31.53 65.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.48 -45.27 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.507 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -72.14 -9.92 59.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.555 ' OG ' HD21 ' A' ' 184' ' ' LEU . 12.5 t -111.4 14.01 21.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.71 122.02 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.65 56.6 1.62 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.992 ' HB1' ' OD2' ' A' ' 183' ' ' ASP . . . -103.67 -175.6 2.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.948 HG21 HD11 ' A' ' 247' ' ' ILE . 0.7 OUTLIER -113.69 178.39 0.98 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 110.401 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.517 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.0 Cg_endo -75.06 -37.75 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.408 ' CB ' HD23 ' A' ' 243' ' ' LEU . 50.8 tp60 -70.45 -58.47 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.992 ' OD2' ' HB1' ' A' ' 179' ' ' ALA . 0.0 OUTLIER -48.83 -46.2 41.65 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 1.182 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.555 HD21 ' OG ' ' A' ' 176' ' ' SER . 55.1 mt -60.48 -43.42 96.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.222 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -33.04 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.779 ' CG2' HD21 ' A' ' 152' ' ' LEU . 0.4 OUTLIER -66.7 -47.85 71.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.458 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.526 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -62.3 -45.24 94.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.612 HD22 ' CE ' ' A' ' 198' ' ' MET . 13.8 mt -64.49 -22.01 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -75.73 -47.5 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 15.3 t -78.13 -1.01 30.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.444 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.756 HG11 ' HE2' ' A' ' 198' ' ' MET . 0.5 OUTLIER -59.96 -176.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.267 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.687 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -170.76 55.85 0.19 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -108.46 27.89 12.81 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.431 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 2.0 t-160 83.77 132.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.596 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -59.13 -37.99 78.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.7 -49.17 75.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.395 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.05 -50.0 75.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.756 ' HE2' HG11 ' A' ' 191' ' ' VAL . 0.1 OUTLIER -57.96 -33.33 68.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.6 -54.41 43.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 70.4 mtm -59.74 -46.48 89.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.752 ' HB2' HD11 ' A' ' 273' ' ' ILE . 2.2 tp -59.78 -37.01 77.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -67.36 -38.34 84.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.75 -45.6 78.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.219 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.24 -47.21 77.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.88 HD11 ' HA ' ' A' ' 266' ' ' ILE . 14.9 mt -59.92 -52.94 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -58.27 -41.07 83.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.64 -29.61 70.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . 0.575 ' OE1' HD22 ' A' ' 268' ' ' LEU . 0.8 OUTLIER -62.47 -44.81 95.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.677 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -62.73 -49.83 73.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.59 -47.92 75.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -40.19 94.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . 0.617 ' CE3' HD11 ' A' ' 215' ' ' LEU . 42.9 t-105 -58.94 -59.41 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 108.06 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -56.32 -33.36 65.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -59.69 -41.91 91.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . 0.617 HD11 ' CE3' ' A' ' 212' ' ' TRP . 2.7 pp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . 0.468 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.0 Cg_endo -75.04 147.2 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.769 . . . . 0.0 110.968 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.14 -178.71 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.677 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -56.63 -38.46 81.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 239' ' ' THR . 0.2 OUTLIER -60.01 -39.11 84.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 110.001 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . 0.468 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.5 OUTLIER -65.3 -36.17 83.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.665 HD13 HG21 ' A' ' 261' ' ' ILE . 19.5 mt -60.48 -30.72 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.95 -22.94 62.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.44 21.49 26.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 234' ' ' SER . 5.7 t -83.97 -38.35 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 110.489 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 37.7 m -105.92 -2.25 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 21.6 t -136.98 136.23 38.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 245' ' ' GLU . 1.6 t -80.67 -177.77 6.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.752 ' CD1' HD13 ' A' ' 247' ' ' ILE . 3.3 tm? -67.07 -59.69 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.61 -45.58 27.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . 0.412 ' H ' HG22 ' A' ' 242' ' ' THR . 4.8 mm-40 -61.67 -37.12 82.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -69.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.948 HD11 HG21 ' A' ' 180' ' ' THR . 1.0 OUTLIER -46.59 -39.43 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -59.99 -51.75 57.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . 0.664 ' CD1' HD13 ' A' ' 256' ' ' ILE . 0.7 OUTLIER -63.52 -31.35 72.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . 0.5 ' HE1' ' HB ' ' A' ' 180' ' ' THR . 0.2 OUTLIER -67.31 -24.16 65.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 247' ' ' ILE . 8.6 t -118.16 22.21 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.457 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.434 ' O ' ' CA ' ' A' ' 255' ' ' PRO . 0.3 OUTLIER -99.43 172.39 7.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 109.574 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 1.4 m120 -119.77 115.26 33.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.96 157.87 99.34 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.026 -0.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.434 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.11 123.89 8.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.575 1.829 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . 0.664 HD13 ' CD1' ' A' ' 249' ' ' TRP . 3.6 mt -100.25 108.57 53.15 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.81 4.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.558 1.82 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.669 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.5 OUTLIER -61.54 -39.38 82.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.11 86.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -32.09 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 258' ' ' VAL . 17.0 mt -63.3 -45.66 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 36.2 t80 -64.18 -37.39 87.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.406 ' HE2' ' N ' ' A' ' 264' ' ' ARG . 1.3 ttpt -56.53 -45.5 81.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.406 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 29.6 ttt180 -62.5 -34.32 76.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.541 ' CD1' ' HG2' ' A' ' 208' ' ' GLU . 49.2 m0 -62.09 -47.86 82.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.88 ' HA ' HD11 ' A' ' 205' ' ' ILE . 63.4 mt -57.35 -45.8 85.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -34.2 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . 0.575 HD22 ' OE1' ' A' ' 208' ' ' GLU . 0.0 OUTLIER -58.79 -54.56 45.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.729 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.15 -59.31 9.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.44 1.087 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.924 ' O ' HG23 ' A' ' 274' ' ' VAL . 11.6 mt -44.62 -33.14 1.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -63.62 -45.78 88.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 269' ' ' GLY . 3.3 mmtt -69.09 -37.32 78.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 0.752 HD11 ' HB2' ' A' ' 201' ' ' LEU . 41.5 mt -64.64 -40.88 90.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.24 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 270' ' ' LEU . 57.1 t -73.55 -37.54 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 -72.71 -16.33 61.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -91.86 -37.95 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 0.539 ' O ' ' CG ' ' A' ' 277' ' ' TYR . 5.6 t80 -91.98 2.99 56.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 1.4 p -79.08 150.17 74.26 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.952 HG11 HG21 ' A' ' 34' ' ' ILE . 2.5 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.616 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.3 mt -106.77 154.31 21.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.065 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.12 179.74 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.18 -58.09 16.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.96 -40.57 20.79 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.01 -38.14 78.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.674 HD21 HD21 ' A' ' 31' ' ' LEU . 4.9 tp -69.27 -43.53 73.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -35.29 66.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' HG12 ' A' ' 19' ' ' ILE . 2.8 mptp? -71.65 -45.32 62.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.387 1.055 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.776 ' CE3' HD12 ' A' ' 85' ' ' LEU . 37.1 t-105 -59.03 -64.89 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -47.45 -24.02 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -92.27 49.37 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.558 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.7 mm -130.58 144.48 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.26 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.52 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.496 0.189 . . . . 0.0 110.971 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.32 173.74 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.674 HD21 HD21 ' A' ' 13' ' ' LEU . 2.6 mm? -61.33 -26.79 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -45.69 92.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -63.99 -35.92 82.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.952 HG21 HG11 ' A' ' 7' ' ' VAL . 4.2 mt -63.79 -50.05 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.02 -44.51 62.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 109.364 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -62.56 -39.58 94.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.001 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.603 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.35 -52.88 63.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -34.78 77.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -60.7 -41.14 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.17 -34.88 79.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.971 ' O ' HG12 ' A' ' 46' ' ' VAL . 86.4 mt -59.61 -49.45 77.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 109.237 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -57.13 -37.18 71.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -35.79 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.81 7.79 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.91 46.15 4.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.971 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.4 p -124.96 150.13 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.92 127.58 91.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -18.96 18.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.82 -10.66 59.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.574 HD12 HD11 ' A' ' 60' ' ' ILE . 25.2 mt -74.06 -27.9 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.63 HD12 ' SG ' ' A' ' 57' ' ' CYS . 8.2 tp -81.43 -15.84 53.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -74.48 -22.06 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.3 p -125.87 157.99 36.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.374 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.499 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 9.8 p -70.09 -31.05 68.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -50.0 72.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.563 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -61.66 -37.13 93.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.63 ' SG ' HD12 ' A' ' 51' ' ' LEU . 1.7 m -64.13 -41.22 97.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.04 -42.18 93.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.88 -38.64 91.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.574 HD11 HD12 ' A' ' 50' ' ' LEU . 1.1 mp -72.71 -73.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.403 1.064 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.574 ' N ' HG22 ' A' ' 60' ' ' ILE . 12.4 tp -41.22 -36.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.95 -48.97 83.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' ILE . 12.1 tt0 -97.41 22.12 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.54 HD23 ' CD2' ' A' ' 79' ' ' TYR . 13.5 tp -107.74 -26.85 10.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.613 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -53.65 -44.83 98.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.99 -40.67 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.827 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.24 -11.69 59.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.936 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.4 mt -70.65 -44.33 67.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -7.36 52.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.827 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.5 t -119.43 -5.94 10.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.706 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -80.62 -98.2 0.35 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 24.4 p 167.34 -176.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.403 0.707 . . . . 0.0 109.95 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.43 -40.82 95.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -71.41 -47.06 58.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 110.242 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.706 HD13 ' CA ' ' A' ' 71' ' ' GLY . 7.9 tt -60.8 -34.42 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.519 ' HA ' HD22 ' A' ' 68' ' ' LEU . 19.9 mtt-85 -61.51 -43.79 98.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 7.3 t -61.18 -30.69 70.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.939 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.688 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -66.17 -47.4 74.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.936 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.5 t80 -58.14 -42.81 86.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -59.18 -31.86 69.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.603 HG21 ' HB2' ' A' ' 37' ' ' ALA . 28.8 m -67.01 -48.12 69.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.515 HD13 HG21 ' A' ' 60' ' ' ILE . 8.8 mt -66.39 -37.96 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.937 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -56.04 -58.36 8.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.651 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.8 t -58.51 -42.06 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.776 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -56.82 -35.48 68.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 25.3 t80 -61.89 -51.98 65.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.442 ' SG ' HD13 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -60.23 -37.87 81.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.413 1.071 . . . . 0.0 108.311 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -62.71 -39.96 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.499 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 2.0 m80 -55.85 -40.13 72.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.627 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.442 ' HB2' ' CD1' ' A' ' 92' ' ' ILE . 2.0 mp0 -88.37 -17.77 29.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.098 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 76.6 39.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.273 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.442 HD13 ' SG ' ' A' ' 87' ' ' CYS . 2.3 mp -75.87 141.2 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.02 92.79 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.422 HG23 ' CD1' ' A' ' 19' ' ' ILE . 17.5 m -111.39 173.67 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 15.2 mttt -142.49 -61.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.19 170.26 9.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.522 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.2 m -60.56 -44.73 95.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -32.4 69.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -34.65 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.842 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -70.49 -39.52 74.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.72 -47.25 80.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.6 -40.55 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -64.2 -61.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.937 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.9 pt -56.48 -27.99 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.567 HG12 HG21 ' A' ' 151' ' ' THR . 1.5 tt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.86 160.48 52.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.417 ' HA ' HD12 ' A' ' 152' ' ' LEU . 18.2 Cg_endo -74.99 -23.16 14.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -64.39 -40.97 96.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.567 HG21 HG12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -67.39 -32.42 73.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.352 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.884 ' O ' HG23 ' A' ' 156' ' ' VAL . 16.8 mt -72.19 -42.49 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.0 -30.9 69.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.81 -49.62 72.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.521 ' O ' HG23 ' A' ' 159' ' ' VAL . 13.1 t90 -67.5 -48.4 67.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 107.954 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 152' ' ' LEU . 43.9 t -44.46 -43.36 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -63.9 -40.02 95.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 155' ' ' TRP . 5.9 t -63.72 -44.89 98.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.591 HG11 ' N ' ' A' ' 192' ' ' GLY . 23.7 t -55.06 -29.57 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -77.78 -33.8 52.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.77 -78.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 26.9 mmtt -69.84 -71.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.89 -48.27 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.64 ' CE2' ' HB1' ' A' ' 163' ' ' ALA . 0.7 OUTLIER -159.33 129.94 5.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.041 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.535 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER 177.46 170.82 0.42 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.012 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -18.59 18.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -94.76 0.93 55.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -103.6 -34.6 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.4 mm -55.5 -44.91 99.89 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.02 -35.49 3.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.11 -39.8 93.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.409 1.068 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.712 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 32.9 t80 -61.17 -44.28 97.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -34.42 76.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.69 91.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.566 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -76.78 -14.1 59.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.64 ' OG ' HD21 ' A' ' 184' ' ' LEU . 17.8 t -107.63 13.74 26.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -40.3 104.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 41.93 71.23 0.38 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.1 -176.32 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.235 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.902 HG21 HD11 ' A' ' 247' ' ' ILE . 0.7 OUTLIER -112.51 -172.06 0.22 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.595 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.03 -41.83 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.449 1.763 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -65.25 -63.47 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.491 ' OD2' HD12 ' A' ' 147' ' ' ILE . 0.0 OUTLIER -47.6 -47.51 28.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.64 HD21 ' OG ' ' A' ' 176' ' ' SER . 54.9 mt -60.75 -41.61 95.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.229 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -42.41 72.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.722 ' CG2' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -71.25 -35.72 71.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.409 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.506 ' HE2' ' CE1' ' A' ' 172' ' ' PHE . 0.7 OUTLIER -61.43 -45.49 94.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.477 HD11 HG21 ' A' ' 266' ' ' ILE . 1.0 OUTLIER -80.2 -10.8 59.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -83.58 -23.93 31.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.386 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.617 ' O ' HG22 ' A' ' 156' ' ' VAL . 4.9 t -97.21 -18.94 18.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.863 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.6 OUTLIER -51.12 -178.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.591 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -165.89 56.48 0.25 Allowed Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.547 1.155 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . 0.563 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -105.4 26.45 21.59 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 0.3 OUTLIER 81.61 139.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 0.73 . . . . 0.0 109.544 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -64.13 -38.09 89.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -58.03 -49.48 76.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.418 1.074 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.31 -49.04 79.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.231 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.863 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.07 -37.5 74.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -57.83 -54.58 45.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -60.02 -29.15 68.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 1.008 HD13 HD11 ' A' ' 273' ' ' ILE . 0.8 OUTLIER -65.55 -36.68 84.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.239 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 0.0 OUTLIER -68.74 -30.26 68.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 11.0 tt0 -67.17 -47.05 72.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.78 -48.88 34.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.471 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.882 HD11 ' HA ' ' A' ' 266' ' ' ILE . 19.9 mt -58.74 -55.52 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 3.2 t30 -58.4 -37.94 76.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . 0.414 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 1.0 OUTLIER -65.73 -29.73 70.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . 0.462 ' HB3' ' CE2' ' A' ' 265' ' ' TRP . 0.0 OUTLIER -67.35 -34.46 77.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.608 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -69.3 -50.05 50.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.01 75.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.46 -36.27 82.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.23 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -58.99 -62.54 1.81 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.573 1.171 . . . . 0.0 107.99 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.17 -33.53 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -38.52 83.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . 0.579 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.8 pp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . 0.438 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.5 Cg_endo -74.94 148.96 36.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.85 172.39 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.608 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -48.64 -38.28 21.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.393 1.058 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . 0.432 ' O ' HG22 ' A' ' 239' ' ' THR . 72.6 m -62.46 -46.83 86.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . 0.72 ' HA ' HG22 ' A' ' 240' ' ' THR . 0.9 OUTLIER -59.9 -35.35 74.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.67 ' HA ' HG22 ' A' ' 258' ' ' VAL . 46.8 mt -60.16 -34.56 57.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.6 -6.42 40.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 181' ' ' PRO . . . 65.52 26.2 71.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 234' ' ' SER . 14.7 t -90.49 -37.6 13.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 110.341 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . 0.72 HG22 ' HA ' ' A' ' 235' ' ' ASP . 11.5 t -104.67 -1.18 26.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 80.8 p -125.82 133.81 51.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.79 159.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.533 ' C ' HD13 ' A' ' 243' ' ' LEU . 1.3 tm? -70.14 -38.21 75.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.52 -34.66 67.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.083 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -40.28 94.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -66.02 -59.16 4.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.902 HD11 HG21 ' A' ' 180' ' ' THR . 0.7 OUTLIER -47.7 -39.88 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.94 -47.78 89.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . 0.441 ' CD1' HD13 ' A' ' 256' ' ' ILE . 0.6 OUTLIER -65.32 -32.01 73.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 14.8 mtm -65.6 -26.47 67.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 11.4 t -118.14 22.11 12.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.442 ' CD2' ' H ' ' A' ' 253' ' ' ASN . 29.1 t60 -90.24 173.73 7.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.501 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 31.3 m120 -122.04 112.59 31.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.95 158.8 98.76 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.988 0.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.423 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.09 119.87 5.8 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . 0.441 HD13 ' CD1' ' A' ' 249' ' ' TRP . 4.5 mt -92.86 114.84 63.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.462 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.4 Cg_endo -74.97 55.81 4.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 236' ' ' ILE . 0.3 OUTLIER -61.9 -48.91 86.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . 0.489 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -61.38 -41.6 99.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.571 1.169 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -32.31 73.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.247 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' ' 257' ' ' PRO . 17.9 mt -69.68 -43.45 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -66.86 -48.62 68.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.707 ' HA ' HD12 ' A' ' 266' ' ' ILE . 0.0 OUTLIER -56.44 -36.16 68.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -64.93 -33.99 77.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.288 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.462 ' CE2' ' HB3' ' A' ' 208' ' ' GLU . 53.9 m0 -61.96 -44.08 97.49 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.89 HG22 HD11 ' A' ' 270' ' ' LEU . 26.5 mt -57.39 -45.39 85.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -31.69 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -56.22 24.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.515 ' C ' HD11 ' A' ' 201' ' ' LEU . . . -62.3 -57.47 16.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.571 1.17 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.89 HD11 HG22 ' A' ' 266' ' ' ILE . 11.7 mt -45.51 -35.81 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -63.47 -41.02 98.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.4 OUTLIER -68.77 -39.18 80.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 1.008 HD11 HD13 ' A' ' 201' ' ' LEU . 32.1 mt -59.45 -45.93 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 270' ' ' LEU . 94.2 t -64.77 -46.06 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -16.32 13.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.69 -37.92 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -95.31 18.16 13.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.98 150.16 92.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.101 HG11 HG21 ' A' ' 34' ' ' ILE . 35.6 t . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.613 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.0 mt -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.48 179.56 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.79 -58.19 15.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.54 -40.57 27.12 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.85 -42.63 89.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.681 HD11 HD13 ' A' ' 31' ' ' LEU . 7.6 tp -64.5 -43.64 93.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -56.04 -32.03 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -45.03 33.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.95 ' CE3' HD12 ' A' ' 85' ' ' LEU . 23.5 t-105 -57.03 -61.74 2.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.96 -21.07 42.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.506 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 6.5 tttt -88.49 43.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.96 HD13 ' CG1' ' A' ' 84' ' ' VAL . 40.2 mt -139.0 127.01 27.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 96' ' ' ASP . 5.9 ttt-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.454 0.168 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.21 173.98 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.681 HD13 HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -60.8 -28.86 69.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -62.05 -44.03 97.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.378 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -63.28 -36.95 85.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.597 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.101 HG21 HG11 ' A' ' 7' ' ' VAL . 4.6 mt -62.71 -50.81 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.417 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.25 -44.6 65.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -62.39 -39.91 94.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.46 -50.4 74.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 41' ' ' LEU . 9.4 p -58.11 -34.86 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.61 -40.84 93.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.359 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.68 -34.68 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 110.306 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.959 ' O ' HG12 ' A' ' 46' ' ' VAL . 95.9 mt -57.77 -50.02 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.41 -41.52 85.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -36.75 75.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.555 ' HZ ' ' HG ' ' A' ' 67' ' ' SER . 24.1 t80 -76.12 0.46 18.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 69.89 44.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.959 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.1 p -124.99 149.95 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.89 132.68 94.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -18.85 18.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.35 -11.55 56.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 27.8 mt -71.17 -39.08 72.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.638 HD11 HD22 ' A' ' 85' ' ' LEU . 8.8 tp -70.43 -7.6 44.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -21.8 31.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.7 p -125.61 156.1 39.71 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.414 1.071 . . . . 0.0 110.391 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.9 p -66.55 -33.08 74.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 3.2 mt-10 -66.32 -36.51 83.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.6 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -73.84 -35.98 53.54 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.421 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -64.55 -44.88 89.38 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.484 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 9.6 ptt180 -68.27 -31.73 71.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -45.22 94.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.847 HG12 HD22 ' A' ' 41' ' ' LEU . 1.8 mp -67.6 -69.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.622 HD11 ' CE1' ' A' ' 79' ' ' TYR . 11.7 tp -40.54 -34.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.63 -48.87 78.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.2 OUTLIER -96.76 22.56 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 110.356 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.553 HD23 ' CD2' ' A' ' 79' ' ' TYR . 18.0 tp -110.32 -27.01 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.611 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 tm0? -53.08 -45.14 98.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.93 -39.92 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.827 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.36 -12.63 61.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.972 HD11 ' CG ' ' A' ' 79' ' ' TYR . 7.4 mt -71.09 -43.82 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.492 ' NE2' ' HA ' ' A' ' 66' ' ' PRO . 1.9 pt20 -74.57 -6.4 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.827 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.86 -4.47 9.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.551 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -82.83 -101.05 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 14.8 p 169.11 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 110.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -41.52 86.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -45.7 62.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.551 HD13 ' HA2' ' A' ' 71' ' ' GLY . 5.9 tt -59.7 -34.05 72.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.518 ' HA ' HD22 ' A' ' 68' ' ' LEU . 32.9 ttt180 -61.11 -48.59 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.29 -36.43 66.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.638 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -60.18 -47.4 86.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.972 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.4 t80 -63.52 -43.28 97.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.67 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.3 t-20 -55.96 -33.12 64.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.791 HG23 ' CH2' ' A' ' 16' ' ' TRP . 3.2 m -70.58 -44.88 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.473 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.498 HG22 ' HB2' ' A' ' 61' ' ' LEU . 11.6 mt -65.56 -36.11 76.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.936 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -60.61 -54.92 39.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.96 ' CG1' HD13 ' A' ' 19' ' ' ILE . 21.1 t -58.74 -45.48 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.23 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.95 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -55.72 -45.71 77.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 58' ' ' ARG . 39.3 t80 -60.42 -37.08 79.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.551 ' HA ' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -68.37 -33.24 73.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.35 1.031 . . . . 0.0 108.321 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 84' ' ' VAL . 55.9 t -66.21 -32.82 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -67.97 -40.53 83.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.626 ' CB ' HD11 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -85.31 -14.07 47.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.7 mtt85 64.49 46.89 3.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.6 mp -83.62 141.5 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.43 105.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.472 HG11 ' SG ' ' A' ' 87' ' ' CYS . 23.7 m -134.47 173.0 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -144.42 -52.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 3.3 p-10 -113.54 170.64 8.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.67 HG22 ' CG ' ' A' ' 80' ' ' ASN . 25.2 m -60.58 -44.58 96.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.444 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -62.54 -31.58 72.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.419 ' HA ' ' OE1' ' A' ' 99' ' ' GLU . 7.0 tp10 -63.15 -36.8 84.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.871 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.12 -36.87 77.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.626 HD13 ' OD1' ' A' ' 80' ' ' ASN . 1.3 mp -55.78 -48.03 76.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.66 -43.46 63.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -61.04 2.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.936 HD13 ' HB1' ' A' ' 83' ' ' ALA . 2.8 pt -56.03 -27.81 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.236 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.553 HG12 HG21 ' A' ' 151' ' ' THR . 1.4 tt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.14 160.17 52.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.993 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -21.97 15.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -65.92 -37.82 87.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.553 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -66.42 -38.54 87.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.401 1.063 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.971 ' O ' HG23 ' A' ' 156' ' ' VAL . 20.2 mt -59.87 -42.38 93.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -66.92 -42.25 85.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -58.73 -49.13 78.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.6 ' CE2' ' CG2' ' A' ' 159' ' ' VAL . 29.3 t-105 -61.96 -46.85 87.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 108.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.971 HG23 ' O ' ' A' ' 152' ' ' LEU . 46.2 t -45.35 -42.44 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -68.2 -36.4 79.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 155' ' ' TRP . 79.6 t -63.33 -45.38 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.612 HG13 ' HB2' ' A' ' 163' ' ' ALA . 68.9 t -61.94 -46.89 95.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -16.34 63.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -81.31 -52.33 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.657 ' O ' HG21 ' A' ' 168' ' ' VAL . 3.8 mttt -165.22 59.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.709 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -40.57 -45.79 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.473 ' O ' ' CD2' ' A' ' 164' ' ' PHE . 11.9 p90 -110.63 104.53 13.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.631 ' O ' HG12 ' A' ' 168' ' ' VAL . 49.2 p -179.29 163.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . 0.478 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.2 Cg_endo -75.07 -16.75 19.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -95.06 4.8 53.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.709 HG11 ' O ' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -111.31 -32.48 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.641 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 15.3 mm -57.03 -43.86 99.54 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.1 -35.21 3.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -46.0 91.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.477 ' HB2' ' CH2' ' A' ' 155' ' ' TRP . 78.6 t80 -62.08 -44.38 96.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 51.8 p -60.84 -34.53 74.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.44 92.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.225 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.567 ' HB3' ' HE1' ' A' ' 187' ' ' MET . 0.1 OUTLIER -74.43 -10.51 59.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.912 ' HB2' HD21 ' A' ' 184' ' ' LEU . 15.3 p -98.56 14.18 29.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.951 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.02 104.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.37 66.28 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -104.01 -174.3 2.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.341 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.913 HG21 HD11 ' A' ' 247' ' ' ILE . 0.6 OUTLIER -113.51 -172.22 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.661 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.4 Cg_endo -74.99 -39.26 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -68.32 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.503 ' OD2' HD12 ' A' ' 147' ' ' ILE . 0.0 OUTLIER -45.1 -46.35 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.912 HD21 ' HB2' ' A' ' 176' ' ' SER . 41.9 mt -62.75 -45.9 90.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -55.24 -36.1 65.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.858 HG22 HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -61.46 -47.15 87.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.346 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.567 ' HE1' ' HB3' ' A' ' 175' ' ' LEU . 1.5 ttp -63.9 -45.64 88.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.488 HD11 HG12 ' A' ' 266' ' ' ILE . 13.0 mt -64.79 -25.47 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -70.67 -48.53 54.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.427 ' CG2' HD22 ' A' ' 152' ' ' LEU . 2.5 t -76.86 -3.16 37.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.456 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.542 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -52.41 -175.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.504 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -168.24 59.45 0.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.4 1.062 . . . . 0.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . 0.635 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -116.97 33.14 5.18 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.3 t60 78.78 136.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.603 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -59.93 -38.05 81.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.3 76.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.22 -49.71 76.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.238 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.542 ' CE ' HG11 ' A' ' 191' ' ' VAL . 1.3 mmt -57.91 -33.74 69.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -68.63 -54.58 15.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 10.5 tmm? -59.04 -36.6 75.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.632 HD13 ' HA3' ' A' ' 269' ' ' GLY . 28.6 tp -61.36 -34.93 76.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -67.58 -32.54 73.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.05 -46.38 74.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -48.91 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.365 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.646 HD11 ' HA ' ' A' ' 266' ' ' ILE . 10.1 mt -58.87 -54.93 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -57.96 -37.12 73.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -67.05 -29.6 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.74 -43.72 83.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.6 ' HB1' ' HA3' ' A' ' 233' ' ' GLY . . . -60.39 -50.1 74.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.02 75.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -34.33 76.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . 0.556 ' CE3' HD11 ' A' ' 215' ' ' LEU . 57.3 t-105 -57.61 -56.13 25.86 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.29 -33.54 65.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.158 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -37.86 85.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.235 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . 0.589 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.9 pp . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 149.38 36.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -85.97 177.76 7.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.6 ' HA3' ' HB1' ' A' ' 209' ' ' ALA . . . -55.44 -38.27 69.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 1.5 m -64.87 -40.52 95.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 0.743 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -41.77 90.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.946 HG12 HG22 ' A' ' 258' ' ' VAL . 14.5 mt -60.61 -31.06 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.98 -8.14 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.24 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 74.46 24.37 73.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.592 1.182 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.46 -38.33 13.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 240' ' ' THR . 11.0 m -104.46 -0.07 28.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 1.2 t -138.44 143.24 39.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . 0.417 HG22 ' HB2' ' A' ' 245' ' ' GLU . 0.6 OUTLIER -72.21 175.03 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.702 HD13 HG12 ' A' ' 247' ' ' ILE . 3.0 tm? -67.07 -59.98 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -50.11 -25.13 3.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . 0.417 ' HB2' HG22 ' A' ' 242' ' ' THR . 3.2 mt-10 -69.89 -49.33 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . 0.574 ' HB3' HG11 ' A' ' 258' ' ' VAL . 2.7 mm-40 -70.09 -36.75 75.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.913 HD11 HG21 ' A' ' 180' ' ' THR . 28.5 mm -52.8 -56.73 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.59 -47.71 89.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -31.3 63.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 5.2 ttm -66.22 -39.89 89.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 251' ' ' THR . 30.6 m -110.6 22.95 14.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.168 . . . . 0.0 110.382 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 255' ' ' PRO . 54.6 t-80 -78.05 169.95 17.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.641 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.448 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 0.9 OUTLIER -121.95 110.63 32.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.1 Cg_endo -75.0 159.84 97.43 Favored 'Cis proline' 0 C--N 1.361 1.226 0 C-N-CA 120.97 -2.512 . . . . 0.0 110.949 0.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -75.04 123.98 8.26 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 5.7 mt -93.06 130.16 37.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.48 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.2 Cg_endo -74.93 54.86 3.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.546 1.814 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.946 HG22 HG12 ' A' ' 236' ' ' ILE . 1.4 t -62.27 -59.74 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . 0.452 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.77 -38.17 95.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.091 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -35.3 75.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 236' ' ' ILE . 13.6 mt -63.78 -45.87 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . 0.661 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 19.8 t80 -69.08 -44.54 72.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.28 -42.54 77.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.444 ' NH2' HG21 ' A' ' 267' ' ' ILE . 0.0 OUTLIER -62.4 -33.66 75.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -63.02 -48.23 79.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.965 HG22 ' CD1' ' A' ' 270' ' ' LEU . 54.6 mt -58.0 -48.41 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.444 HG21 ' NH2' ' A' ' 264' ' ' ARG . 0.4 OUTLIER -60.53 -32.62 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -57.87 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.632 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -63.61 -58.75 10.2 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.965 ' CD1' HG22 ' A' ' 266' ' ' ILE . 14.3 mt -43.84 -35.89 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -46.57 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 269' ' ' GLY . 2.3 mptm? -66.25 -37.38 85.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 270' ' ' LEU . 31.2 mt -63.61 -43.48 98.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 270' ' ' LEU . 80.2 t -61.76 -46.18 97.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -64.48 -16.4 62.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.78 -38.06 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.83 15.4 23.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.07 152.32 55.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.184 0 O-C-N 124.398 1.736 . . . . 0.0 111.047 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.016 HG11 HG21 ' A' ' 34' ' ' ILE . 2.9 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.557 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.2 mt -108.22 156.77 18.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.237 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -88.26 179.82 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.941 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.4 -57.55 19.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.423 1.077 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.88 -40.74 24.97 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.8 -40.66 84.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.559 HD11 HD13 ' A' ' 31' ' ' LEU . 21.2 tp -67.54 -39.78 85.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 92.1 m-20 -56.07 -31.9 63.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.46 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -76.96 -44.7 30.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.799 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 67.0 t-105 -55.98 -60.58 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 107.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.86 -22.54 59.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -91.43 39.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.833 HD13 HG13 ' A' ' 84' ' ' VAL . 54.7 mt -141.58 139.62 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.253 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.799 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.592 0.234 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -142.39 168.18 20.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.559 HD13 HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -61.05 -28.1 68.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -61.76 -45.12 95.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -63.05 -36.06 82.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.589 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.016 HG21 HG11 ' A' ' 7' ' ' VAL . 4.4 mt -63.52 -50.12 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.366 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.31 -44.59 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 43.0 t90 -62.79 -39.75 95.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 108.009 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.616 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -58.95 -52.97 63.48 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -34.93 77.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -41.13 94.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.493 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 2.9 tt0 -65.25 -34.98 79.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.925 ' O ' HG12 ' A' ' 46' ' ' VAL . 95.9 mt -62.55 -45.78 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.18 -41.21 78.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -25.35 65.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 3.3 m-85 -83.66 10.45 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 60.4 38.18 19.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.925 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.9 p -125.04 150.08 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -64.48 132.13 95.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -18.91 18.4 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.83 -9.73 59.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.517 HD12 HD11 ' A' ' 60' ' ' ILE . 20.6 mt -70.68 -36.14 73.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.345 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 8.8 tp -75.29 -18.77 59.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -22.02 59.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.2 p -125.89 154.27 42.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.447 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 1.4 p -68.53 -30.31 69.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.074 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.0 -48.77 78.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.602 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -63.43 -34.88 91.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.7 m -63.9 -40.85 97.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -59.98 -37.8 80.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -36.89 75.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.602 HD12 ' O ' ' A' ' 56' ' ' GLY . 1.2 mp -74.57 -75.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.626 HD21 HD12 ' A' ' 104' ' ' ILE . 9.2 tp -44.13 -35.06 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.86 -49.0 83.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.39 22.79 10.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.313 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.483 HD23 ' CD2' ' A' ' 79' ' ' TYR . 12.5 tp -107.79 -26.99 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.23 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.612 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 6.1 tm0? -52.85 -45.29 97.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.241 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -75.03 -40.35 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.536 1.809 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.823 ' HA ' HG22 ' A' ' 70' ' ' THR . 63.1 m -68.47 -11.79 60.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.941 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.4 mt -70.98 -44.19 66.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -74.35 -7.12 51.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.823 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.72 -5.55 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.915 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.48 -98.94 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 20.9 p 167.43 -175.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 0.74 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -61.21 -40.95 95.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -47.07 57.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.388 1.055 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.915 HD13 ' CA ' ' A' ' 71' ' ' GLY . 6.0 tt -60.64 -34.32 74.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.548 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.57 -42.79 99.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.47 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 38.5 t -62.18 -30.46 71.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -66.19 -42.54 88.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.608 1.193 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.941 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.6 t80 -64.59 -43.26 94.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.826 HD22 HG21 ' A' ' 97' ' ' THR . 0.3 OUTLIER -59.11 -26.43 64.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.616 HG21 ' HB2' ' A' ' 37' ' ' ALA . 47.9 m -71.75 -48.46 46.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.442 HG22 ' HB2' ' A' ' 61' ' ' LEU . 3.3 mt -69.24 -33.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.804 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -56.97 -60.82 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.833 HG13 HD13 ' A' ' 19' ' ' ILE . 2.7 t -58.1 -41.31 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.587 ' CD1' ' CE3' ' A' ' 16' ' ' TRP . 1.1 mp -56.62 -38.45 72.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -59.86 -48.35 82.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.8 OUTLIER -63.96 -40.0 95.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.46 HG22 ' HB3' ' A' ' 15' ' ' LYS . 17.3 t -60.86 -39.85 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.447 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 1.3 m80 -57.26 -40.2 77.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.601 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.449 ' HB2' ' CD1' ' A' ' 92' ' ' ILE . 0.4 OUTLIER -91.06 -9.79 44.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.9 OUTLIER 65.92 43.39 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 90' ' ' GLN . 2.1 mp -75.92 140.92 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -63.28 89.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.3 m -116.71 173.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -143.91 -47.24 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.441 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -128.33 170.21 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.826 HG21 HD22 ' A' ' 80' ' ' ASN . 5.7 m -59.87 -44.69 94.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.441 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 6.0 tmtm? -54.61 -32.15 58.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.382 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.403 ' HA ' ' OE1' ' A' ' 99' ' ' GLU . 6.6 tp10 -68.95 -40.36 78.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.8 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -70.62 -39.29 73.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 2.7 mp -56.02 -46.73 78.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -72.28 -44.68 62.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.58 -62.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.804 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pt -55.74 -28.26 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 3.3 tt0 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.746 HD12 ' OD1' ' A' ' 183' ' ' ASP . 1.2 tt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.07 160.55 51.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 109.962 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -22.9 14.45 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.441 1.759 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -37.47 86.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.597 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -68.67 -38.66 80.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.448 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.96 ' O ' HG23 ' A' ' 156' ' ' VAL . 21.6 mt -61.72 -41.59 97.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.59 -37.91 85.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -64.13 -48.96 74.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.614 ' CZ3' HG11 ' A' ' 158' ' ' VAL . 61.5 t-105 -62.05 -43.4 98.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 152' ' ' LEU . 39.3 t -46.04 -43.32 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.368 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -70.17 -33.87 72.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.133 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.614 HG11 ' CZ3' ' A' ' 155' ' ' TRP . 97.3 t -63.61 -42.34 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.825 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 40.8 t -77.62 -31.79 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.083 . . . . 0.0 109.357 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.04 -35.09 79.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -90.05 -60.07 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.678 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 9.1 mmtt -82.56 -79.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.825 ' HB2' ' O ' ' A' ' 159' ' ' VAL . . . 85.03 -47.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.559 ' O ' ' CG ' ' A' ' 164' ' ' PHE . 1.9 p90 -155.39 61.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.467 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -116.94 168.42 8.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.35 18.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.552 1.817 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.52 0.55 56.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.517 ' CG2' HG12 ' A' ' 158' ' ' VAL . 0.3 OUTLIER -103.57 -34.32 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 27.3 mm -53.66 -45.26 98.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.12 -37.06 2.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -33.54 74.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.721 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 2.5 t80 -61.81 -39.44 91.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 3.9 t -74.62 -27.09 60.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.4 -45.95 61.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.577 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.27 -27.42 53.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.454 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 4.1 p -100.77 13.82 33.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.35 105.97 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 45.42 67.85 1.14 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.33 -176.62 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 0.0 109.246 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.831 HG21 HD11 ' A' ' 247' ' ' ILE . 1.3 p -109.68 -175.91 0.37 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.2 Cg_endo -75.02 -39.62 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -31.07 69.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.746 ' OD1' HD12 ' A' ' 147' ' ' ILE . 5.9 t0 -80.83 -48.83 11.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 180' ' ' THR . 8.7 mt -61.82 -34.18 75.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.227 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -71.5 -31.84 67.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.787 HG22 HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -68.61 -48.45 64.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.601 ' O ' HG22 ' A' ' 190' ' ' THR . 1.8 ppp? -69.79 -32.93 71.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.664 HD22 ' CE ' ' A' ' 198' ' ' MET . 10.4 mt -74.28 -32.68 63.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 189' ' ' ASN . 38.3 t-20 -68.7 -30.24 68.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 187' ' ' MET . 1.8 t -87.85 -13.66 41.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.901 HG11 ' HE1' ' A' ' 198' ' ' MET . 0.6 OUTLIER -51.65 -177.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.515 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -167.37 57.05 0.23 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . 0.664 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -109.33 28.26 11.22 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 79.58 136.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.59 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -57.92 -38.05 75.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.33 76.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.17 -49.67 76.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.901 ' HE1' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.9 -34.44 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -69.71 -54.56 13.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -58.74 -30.26 67.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.581 HD13 ' HA3' ' A' ' 269' ' ' GLY . 16.8 tp -65.71 -42.84 90.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -60.9 -29.57 69.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.73 -46.32 75.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.51 -48.02 61.9 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 1.13 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.731 HD11 ' HA ' ' A' ' 266' ' ' ILE . 18.4 mt -58.3 -55.54 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -58.2 -37.4 74.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.293 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -65.81 -29.73 70.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.231 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . 0.561 ' OE1' HD22 ' A' ' 268' ' ' LEU . 0.3 OUTLIER -68.01 -40.2 83.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.533 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -65.57 -50.12 66.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.89 76.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.48 -40.11 96.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -57.73 -61.27 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 108.008 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.24 -34.51 66.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -60.35 -41.8 94.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 110.353 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . 0.571 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.9 pp . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 249' ' ' TRP . 18.2 Cg_endo -75.03 164.14 33.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.526 1.803 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 169.42 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.54 ' HA2' HD12 ' A' ' 236' ' ' ILE . . . -48.72 -37.97 21.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -45.44 93.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 0.757 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.5 OUTLIER -59.92 -35.81 75.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.599 HG23 HG22 ' A' ' 258' ' ' VAL . 65.6 mt -60.64 -33.22 53.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.28 -22.69 61.93 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 87.46 25.22 33.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.73 -38.24 47.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 25.1 m -118.4 -0.43 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.377 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . 0.401 ' HA ' ' OE1' ' A' ' 245' ' ' GLU . 1.2 t -112.69 145.24 40.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.43 167.32 13.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.614 HD13 ' CG1' ' A' ' 247' ' ' ILE . 3.0 tm? -58.26 -60.86 3.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -49.36 -22.33 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.221 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 249' ' ' TRP . 0.6 OUTLIER -70.77 -49.33 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -69.82 -38.81 76.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.831 HD11 HG21 ' A' ' 180' ' ' THR . 50.0 mm -55.14 -61.0 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . 0.863 ' HA2' HG22 ' A' ' 251' ' ' THR . . . -60.36 -35.87 89.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . 0.576 ' CZ2' ' HG3' ' A' ' 231' ' ' PRO . 0.0 OUTLIER -59.53 -33.34 71.26 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.4 mtm -80.11 -26.91 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . 0.863 HG22 ' HA2' ' A' ' 248' ' ' GLY . 6.7 t -109.74 22.38 15.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.411 1.069 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.475 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 73.2 t60 -91.96 167.4 12.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.475 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 1.3 m120 -121.64 111.14 33.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.327 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -75.0 159.79 97.51 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.062 -2.474 . . . . 0.0 110.977 0.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.97 123.36 7.84 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.535 1.808 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 3.5 mt -96.95 115.59 65.77 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 54.47 3.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.721 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.5 OUTLIER -63.02 -39.81 86.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -62.29 -41.93 99.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.26 -32.33 71.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 258' ' ' VAL . 25.5 mt -64.66 -45.37 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -70.77 -48.86 52.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 266' ' ' ILE . 0.3 OUTLIER -56.14 -35.84 67.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 57.6 ttt180 -67.29 -34.13 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -62.19 -42.26 99.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 107.979 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.962 HG22 HD11 ' A' ' 270' ' ' LEU . 54.5 mt -57.96 -48.25 84.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -32.37 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . 0.561 HD22 ' OE1' ' A' ' 208' ' ' GLU . 0.0 OUTLIER -57.89 -58.01 10.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.581 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.63 -59.71 8.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.962 HD11 HG22 ' A' ' 266' ' ' ILE . 12.4 mt -42.87 -35.7 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 0.81 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -62.97 -47.04 84.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 269' ' ' GLY . 23.7 tttt -66.97 -37.4 84.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 0.823 HD12 ' HA ' ' A' ' 270' ' ' LEU . 51.6 mt -58.86 -45.95 91.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.78 -41.99 77.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -63.55 -16.22 60.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.91 -35.28 12.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 0.414 ' CG ' ' CE2' ' A' ' 164' ' ' PHE . 0.1 OUTLIER -99.84 16.53 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.38 153.7 92.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 111.049 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.942 HG11 HG21 ' A' ' 34' ' ' ILE . 3.0 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.625 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.9 mt -99.65 152.39 20.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.07 179.62 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.09 -57.95 16.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.414 1.071 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.05 -41.39 27.37 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.94 -41.29 87.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 110.291 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.75 HD21 HD21 ' A' ' 31' ' ' LEU . 5.3 tp -64.95 -44.11 90.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.489 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -55.91 -31.99 63.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -44.27 38.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.871 ' CE3' HD12 ' A' ' 85' ' ' LEU . 32.9 t-105 -56.79 -61.21 2.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 108.006 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -56.37 -23.46 37.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 8.4 mttt -87.17 45.24 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.766 HD13 HG13 ' A' ' 84' ' ' VAL . 91.0 mt -144.21 138.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.338 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.494 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 1.3 m-85 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.471 0.177 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -142.45 171.36 14.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.75 HD21 HD21 ' A' ' 13' ' ' LEU . 2.4 mm? -61.58 -28.61 69.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -61.68 -46.13 91.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -62.79 -35.71 80.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.942 HG21 HG11 ' A' ' 7' ' ' VAL . 3.7 mt -62.9 -49.57 83.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.55 -42.88 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -62.58 -40.89 98.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.007 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.67 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.08 -52.78 64.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.873 ' HA ' HD12 ' A' ' 41' ' ' LEU . 9.7 p -61.71 -34.78 76.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.64 -40.89 93.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -34.93 79.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.914 ' O ' HG12 ' A' ' 46' ' ' VAL . 31.4 mt -57.88 -50.14 74.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.19 -41.96 80.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.591 1.182 . . . . 0.0 110.277 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -37.75 77.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.44 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 35.5 t80 -75.96 0.47 18.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 67.62 46.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.914 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.1 p -124.97 150.03 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.64 129.8 94.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.9 18.4 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.79 -11.47 57.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.757 HD12 HD11 ' A' ' 60' ' ' ILE . 29.4 mt -72.22 -40.29 67.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.769 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.767 HD11 HD22 ' A' ' 85' ' ' LEU . 10.8 tp -66.59 -14.66 62.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.23 -21.95 55.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.81 150.05 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.445 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.403 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 19.4 p -65.27 -30.75 71.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.965 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.89 -50.1 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.487 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -60.25 -34.78 85.98 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.605 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -63.95 -41.25 97.65 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -60.04 -39.58 86.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -37.46 87.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.647 1.217 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.757 HD11 HD12 ' A' ' 50' ' ' LEU . 1.6 mp -73.55 -74.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.519 ' N ' HG22 ' A' ' 60' ' ' ILE . 14.1 tp -41.78 -39.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.6 -48.8 82.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -94.92 19.92 9.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 0.739 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 79' ' ' TYR . 9.9 tp -103.62 -29.38 11.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.605 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.5 tm0? -52.18 -45.24 94.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.01 -40.03 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.582 1.833 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.815 ' HA ' HG22 ' A' ' 70' ' ' THR . 48.9 m -68.13 -11.52 59.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.897 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.7 mt -70.55 -44.28 67.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -73.87 -7.33 51.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.815 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.74 -5.64 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.574 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.43 -98.56 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 22.2 p 168.99 -177.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 0.764 . . . . 0.0 109.952 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.58 -40.66 95.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -71.14 -47.26 58.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.574 HD13 ' CA ' ' A' ' 71' ' ' GLY . 8.3 tt -60.8 -34.64 74.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.58 ' HA ' HD22 ' A' ' 68' ' ' LEU . 5.2 ttt-85 -61.94 -41.27 97.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.466 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 0.3 OUTLIER -63.38 -30.0 71.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -67.07 -45.94 75.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.897 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.0 t80 -53.56 -44.31 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.605 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 2.3 p30 -65.3 -26.61 68.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.564 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 22.4 m -70.89 -43.93 67.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.605 HG23 ' SG ' ' A' ' 57' ' ' CYS . 42.4 mt -72.35 -42.79 65.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.983 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -49.76 -52.71 29.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.766 HG13 HD13 ' A' ' 19' ' ' ILE . 3.7 t -58.61 -42.75 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.871 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -57.06 -41.2 78.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -59.89 -36.75 77.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.52 ' HA ' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -66.62 -41.62 88.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.8 -32.65 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.403 ' HB3' ' CB ' ' A' ' 54' ' ' SER . 26.1 m170 -65.36 -40.31 93.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 109.584 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.554 ' CB ' HD11 ' A' ' 92' ' ' ILE . 1.1 mt-30 -86.62 -20.32 28.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 87' ' ' CYS . 20.5 ttt180 73.7 36.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.283 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.554 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.8 mt -75.68 141.31 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.158 . . . . 0.0 109.401 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.77 106.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 15.1 m -131.57 172.75 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -145.38 -47.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.9 170.65 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.545 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 55.0 m -60.29 -45.41 93.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.431 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.55 67.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 103' ' ' LYS . 2.0 tp10 -67.75 -32.0 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.848 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.29 -41.35 76.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.583 HD11 ' HE1' ' A' ' 79' ' ' TYR . 1.1 mp -56.73 -45.12 82.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.91 -40.12 65.76 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 109.235 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.489 ' HG2' HG22 ' A' ' 92' ' ' ILE . 3.5 mptt -66.14 -61.23 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.983 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 2.7 pt -55.68 -27.9 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 3.6 mm-40 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.584 HG12 HG21 ' A' ' 151' ' ' THR . 1.1 tt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.83 160.64 52.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.946 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -23.35 13.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.442 1.759 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -37.26 87.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.584 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -70.56 -35.49 73.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.454 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.977 HD21 HG22 ' A' ' 186' ' ' THR . 25.7 mt -64.87 -43.11 94.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -67.75 -45.67 74.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.75 77.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.433 ' O ' ' N ' ' A' ' 158' ' ' VAL . 33.3 t-105 -61.97 -47.12 86.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 152' ' ' LEU . 28.2 t -46.72 -43.64 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -61.25 -37.17 82.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.542 HG11 ' SD ' ' A' ' 171' ' ' MET . 47.8 t -70.05 -37.71 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.524 HG11 ' N ' ' A' ' 192' ' ' GLY . 77.0 t -52.93 -42.72 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.9 -38.56 64.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -40.6 85.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.952 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -179.05 72.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.49 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -38.25 -48.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.668 ' CZ ' ' CD2' ' A' ' 277' ' ' TYR . 3.5 p90 -127.41 146.26 50.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.412 ' N ' HG22 ' A' ' 274' ' ' VAL . 0.0 OUTLIER 170.13 171.64 0.16 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -19.42 17.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.94 5.19 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.952 HG21 ' O ' ' A' ' 162' ' ' LYS . 13.9 t -102.22 -33.64 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.8 mm -52.17 -45.48 93.98 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.2 Cg_endo -75.05 -34.71 3.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.542 ' SD ' HG11 ' A' ' 158' ' ' VAL . 0.0 OUTLIER -61.75 -42.49 99.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.944 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.79 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 24.8 t80 -64.53 -32.42 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 6.8 p -70.56 -26.85 63.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.078 . . . . 0.0 109.952 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.34 -46.14 61.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.412 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.28 -21.5 53.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.577 ' HB2' HD21 ' A' ' 184' ' ' LEU . 9.9 p -106.19 14.13 28.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.942 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.68 99.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.352 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 58.79 63.5 5.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.71 -176.81 3.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.885 HG21 HD11 ' A' ' 247' ' ' ILE . 0.6 OUTLIER -116.44 -173.09 0.24 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 110.425 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.3 Cg_endo -75.01 -42.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -69.86 -39.56 76.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.06 -46.89 61.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 180' ' ' THR . 19.8 mt -60.83 -48.79 80.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -55.07 -37.29 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.977 HG22 HD21 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -61.76 -45.6 93.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.534 ' O ' HG22 ' A' ' 190' ' ' THR . 1.4 ttt -62.6 -45.27 93.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.459 HD22 ' CE ' ' A' ' 198' ' ' MET . 44.3 mt -72.03 -16.51 62.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -78.36 -35.18 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 187' ' ' MET . 7.1 t -86.09 -13.0 48.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.544 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.6 OUTLIER -52.0 -177.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 191' ' ' VAL . . . 165.76 98.09 0.12 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -147.96 -48.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.01 120.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.499 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -57.56 -39.84 77.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.551 1.157 . . . . 0.0 110.234 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.02 -49.34 76.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.36 -49.57 77.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.544 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.9 OUTLIER -57.91 -33.6 68.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -66.35 -53.27 38.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -59.25 -46.28 88.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 0.0 111.049 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.799 ' HB2' HD11 ' A' ' 273' ' ' ILE . 1.5 tp -57.74 -39.28 76.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -41.33 96.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.5 tt0 -67.09 -37.59 84.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.245 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.18 -42.23 72.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.816 HD11 ' HA ' ' A' ' 266' ' ' ILE . 40.8 mt -66.52 -55.44 18.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -58.39 -42.77 87.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 38.3 tt0 -66.15 -29.35 69.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -35.05 78.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.566 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -72.91 -50.19 25.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.53 -48.17 75.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.95 -36.27 77.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . 0.687 ' CE3' HD11 ' A' ' 215' ' ' LEU . 20.7 t-105 -57.65 -62.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.029 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . 0.48 ' OD1' ' CG ' ' A' ' 232' ' ' ARG . 53.6 m-20 -56.43 -32.75 65.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -58.61 -35.98 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . 0.687 HD11 ' CE3' ' A' ' 212' ' ' TRP . 3.4 pp . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . 0.932 ' HG3' HD13 ' A' ' 256' ' ' ILE . 18.3 Cg_endo -75.06 81.91 2.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . 0.48 ' CG ' ' OD1' ' A' ' 213' ' ' ASP . 2.5 mtm105 -86.2 -179.25 6.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.359 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.566 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -67.47 -38.39 90.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . 0.833 ' O ' HG22 ' A' ' 239' ' ' THR . 5.5 m -72.67 -47.63 45.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 0.727 . . . . 0.0 109.978 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -45.08 95.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.755 HG12 HG22 ' A' ' 258' ' ' VAL . 14.0 mt -60.59 -27.8 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -73.06 -16.29 61.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.239 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 85.57 22.16 51.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 234' ' ' SER . 15.4 t -90.66 -33.98 15.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 0.0 110.404 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 93.8 m -104.03 -3.27 24.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.32 153.26 45.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . 0.56 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.5 OUTLIER -86.34 175.69 8.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.167 . . . . 0.0 110.418 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.681 ' C ' HD13 ' A' ' 243' ' ' LEU . 2.4 tm? -60.16 -62.84 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -47.89 -48.5 31.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . 0.433 ' H ' HG22 ' A' ' 242' ' ' THR . 1.1 mm-40 -61.13 -33.96 74.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . 0.685 ' HG3' HG11 ' A' ' 258' ' ' VAL . 3.1 tp60 -70.39 -72.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.885 HD11 HG21 ' A' ' 180' ' ' THR . 0.9 OUTLIER -41.36 -34.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -61.19 -48.22 86.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . 0.726 ' CZ3' ' CE1' ' A' ' 252' ' ' HIS . 0.7 OUTLIER -67.33 -31.69 72.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . 0.466 ' CE ' HG13 ' A' ' 247' ' ' ILE . 7.6 mtm -62.17 -26.34 68.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 15.3 t -116.81 22.3 12.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.726 ' CE1' ' CZ3' ' A' ' 249' ' ' TRP . 0.1 OUTLIER -78.56 173.9 11.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.647 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.408 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 43.3 m-20 -122.55 110.56 32.01 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.0 Cg_endo -75.07 159.41 97.99 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.933 0.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.01 119.93 5.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . 0.932 HD13 ' HG3' ' A' ' 231' ' ' PRO . 5.8 mt -92.68 133.21 29.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.554 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.3 Cg_endo -74.97 59.93 5.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.755 HG22 HG12 ' A' ' 236' ' ' ILE . 2.6 t -64.36 -68.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . 0.444 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.33 -32.7 81.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -69.54 -32.99 72.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.554 HD12 ' O ' ' A' ' 257' ' ' PRO . 8.6 mt -70.6 -39.44 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . 0.591 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 1.0 OUTLIER -63.92 -48.66 75.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.084 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -56.3 -33.98 66.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.601 1.188 . . . . 0.0 109.373 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 62.3 mtt-85 -67.22 -34.53 77.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.547 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 47.0 m0 -62.18 -44.09 97.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 107.951 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.828 HG22 HD11 ' A' ' 270' ' ' LEU . 67.4 mt -56.84 -47.47 82.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.43 HG13 HG23 ' A' ' 169' ' ' ILE . 0.5 OUTLIER -60.02 -29.68 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -55.64 25.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.725 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.2 -58.2 13.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.985 ' O ' HG23 ' A' ' 274' ' ' VAL . 12.7 mt -44.03 -35.46 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -63.04 -45.91 90.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.0 OUTLIER -67.84 -37.39 81.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 201' ' ' LEU . 27.5 mt -64.88 -33.43 63.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 270' ' ' LEU . 94.0 t -68.77 -45.66 80.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -16.2 63.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.59 -37.89 12.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 0.668 ' CD2' ' CZ ' ' A' ' 164' ' ' PHE . 20.8 m-85 -101.42 15.54 28.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 111.063 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.98 154.59 80.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 110.975 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.101 HG11 HG21 ' A' ' 34' ' ' ILE . 33.4 t . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.619 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.2 mt -101.44 155.66 17.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.76 179.9 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.084 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.67 -57.8 17.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.11 -40.79 19.5 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.436 ' HG2' HG12 ' A' ' 88' ' ' VAL . 4.4 mt-10 -58.72 -39.89 82.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 0.818 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.72 ' CD1' HD11 ' A' ' 31' ' ' LEU . 4.3 tp -67.92 -44.13 77.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -55.91 -35.83 67.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -44.86 63.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.872 ' CE3' HD12 ' A' ' 85' ' ' LEU . 48.9 t-105 -56.71 -53.03 62.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.43 -23.03 56.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.14 48.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 2.0 mm -129.46 143.29 41.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.283 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.464 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.531 0.205 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -139.91 172.44 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.72 HD11 ' CD1' ' A' ' 13' ' ' LEU . 2.6 mm? -60.96 -27.73 68.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -61.87 -45.02 95.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.38 -36.05 82.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.101 HG21 HG11 ' A' ' 7' ' ' VAL . 5.0 mt -63.65 -51.0 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.2 -43.1 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -62.44 -41.12 98.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 108.007 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.64 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.46 -51.73 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.588 ' HA ' HD12 ' A' ' 41' ' ' LEU . 11.4 p -61.66 -34.84 76.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -60.56 -40.93 93.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.36 -34.76 79.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.897 ' O ' HG12 ' A' ' 46' ' ' VAL . 82.0 mt -57.84 -50.11 74.4 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.27 -42.05 80.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -58.49 -37.71 76.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 10.3 t80 -76.05 0.42 18.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 67.8 46.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.897 HG12 ' O ' ' A' ' 41' ' ' LEU . 6.1 p -124.94 149.9 29.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -64.57 131.41 95.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.78 18.5 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.586 1.835 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.47 -11.86 57.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.437 HD12 HD11 ' A' ' 60' ' ' ILE . 27.7 mt -72.07 -39.54 68.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.83 HD11 HD22 ' A' ' 85' ' ' LEU . 12.3 tp -68.73 -16.54 63.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -21.95 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.81 145.75 50.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.7 p -60.08 -32.64 71.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -63.99 -49.9 70.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -62.0 -34.95 90.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.743 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -63.98 -43.77 94.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.51 ' HG3' ' CZ ' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -60.05 -38.49 82.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -39.82 89.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.825 HG12 HD22 ' A' ' 41' ' ' LEU . 1.5 mp -70.88 -72.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.485 ' N ' HG22 ' A' ' 60' ' ' ILE . 14.0 tp -40.35 -37.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.05 -48.83 76.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' ILE . 1.5 tt0 -93.06 21.56 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.499 HD21 ' CD1' ' A' ' 78' ' ' LEU . 21.0 tp -110.16 -27.6 9.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.606 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.2 tm0? -50.85 -45.72 87.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.94 -38.77 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.805 ' HA ' HG22 ' A' ' 70' ' ' THR . 25.6 m -68.32 -12.58 61.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.944 HD11 ' CG ' ' A' ' 79' ' ' TYR . 7.3 mt -70.58 -44.27 67.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -75.46 -6.49 50.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.805 HG22 ' HA ' ' A' ' 67' ' ' SER . 1.7 t -117.91 -7.13 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.616 ' HA3' HD12 ' A' ' 75' ' ' LEU . . . -83.36 -100.06 0.54 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.1 p 169.8 -175.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.761 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.68 -41.92 96.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.596 1.185 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -47.43 54.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.687 HD11 HD23 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -58.18 -34.85 70.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.574 ' HA ' HD22 ' A' ' 68' ' ' LEU . 33.3 ttt85 -62.19 -44.03 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.3 -35.2 67.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.64 HD23 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -61.94 -47.17 86.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.944 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -60.51 -41.57 94.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.848 ' OD1' HD13 ' A' ' 101' ' ' LEU . 2.6 t-20 -63.35 -31.62 72.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.614 HG23 ' HH2' ' A' ' 16' ' ' TRP . 8.2 m -70.02 -47.76 60.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.743 HG23 ' SG ' ' A' ' 57' ' ' CYS . 67.8 mt -64.37 -43.34 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.644 1.215 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 1.036 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -49.56 -51.43 36.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.639 HG22 ' HB2' ' A' ' 100' ' ' ALA . 5.4 t -57.85 -43.8 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.872 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.75 -43.71 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.51 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 39.6 t80 -60.25 -43.91 95.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.497 ' SG ' HG21 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -62.76 -37.43 86.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.436 HG12 ' HG2' ' A' ' 12' ' ' GLU . 5.2 t -61.06 -32.81 53.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 15.4 m170 -67.54 -40.24 85.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.57 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.553 ' CB ' HD11 ' A' ' 92' ' ' ILE . 6.0 mt-30 -86.77 -13.5 45.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 87' ' ' CYS . 34.5 mtp85 64.18 41.42 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.553 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.9 mp -76.01 141.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.16 106.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.497 HG21 ' SG ' ' A' ' 87' ' ' CYS . 17.7 m -139.12 174.0 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.235 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -137.02 -69.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.418 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -101.43 171.69 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.745 HG22 ' CG ' ' A' ' 80' ' ' ASN . 63.2 m -59.71 -42.45 93.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.418 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 1.2 tttt -61.12 -31.56 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -67.56 -32.28 72.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.831 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -68.53 -42.07 79.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.848 HD13 ' OD1' ' A' ' 80' ' ' ASN . 0.8 OUTLIER -56.57 -42.69 79.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -73.58 -42.52 61.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -61.54 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.036 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.8 pt -55.32 -27.89 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 2.7 mt-10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.619 HG12 HG21 ' A' ' 151' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . 0.495 ' O ' HG22 ' A' ' 151' ' ' THR . 0.0 OUTLIER -86.62 161.76 47.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.929 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.15 14.14 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.449 1.762 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -44.31 89.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.619 HG21 HG12 ' A' ' 147' ' ' ILE . 2.3 t -70.31 -36.06 74.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.808 ' O ' HG23 ' A' ' 156' ' ' VAL . 25.8 mt -64.03 -32.59 74.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.06 -47.1 66.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.64 -49.62 76.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.679 ' HZ2' HG23 ' A' ' 191' ' ' VAL . 1.9 t90 -61.81 -49.22 77.18 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 152' ' ' LEU . 3.9 t -44.88 -44.11 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -60.1 -37.62 80.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.761 HG11 ' HE2' ' A' ' 171' ' ' MET . 75.6 t -69.42 -45.27 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.688 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 2.6 t -52.87 -46.21 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -21.66 61.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -76.82 -37.53 55.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.687 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -140.19 -57.97 0.54 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.716 ' HB1' ' HA2' ' A' ' 193' ' ' GLY . . . 84.23 -48.4 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.73 ' CE2' ' CD2' ' A' ' 277' ' ' TYR . 4.3 p90 -145.54 109.69 4.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.7 172.32 4.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -19.57 17.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.45 1.763 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.98 -2.46 53.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.73 HG13 ' CE1' ' A' ' 172' ' ' PHE . 2.9 t -99.92 -34.09 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.62 HD11 ' C ' ' A' ' 270' ' ' LEU . 0.3 OUTLIER -49.89 -48.44 77.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.02 -34.22 3.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.761 ' HE2' HG11 ' A' ' 158' ' ' VAL . 1.8 tmm? -61.88 -36.12 80.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.73 ' CE1' HG13 ' A' ' 168' ' ' VAL . 4.6 m-30 -72.81 -35.5 67.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . 0.599 ' HB2' HD11 ' A' ' 267' ' ' ILE . 3.6 t -73.38 -28.66 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.07 -45.64 63.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.497 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -74.63 -35.93 62.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.487 ' HB2' HD21 ' A' ' 184' ' ' LEU . 25.1 p -95.18 14.37 22.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 176' ' ' SER . 1.0 OUTLIER -38.0 101.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 57.48 66.15 3.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.518 ' HB3' ' HG ' ' A' ' 184' ' ' LEU . . . -103.99 172.91 6.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 0.795 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.762 HG21 HD11 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -96.86 -173.46 0.33 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.5 Cg_endo -74.98 -40.84 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.437 1.756 . . . . 0.0 111.052 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -70.43 -42.09 72.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.27 -49.56 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.234 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.518 ' HG ' ' HB3' ' A' ' 179' ' ' ALA . 21.4 mt -63.74 -37.06 85.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 38.0 t-20 -63.32 -34.53 77.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.764 HG21 HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -60.82 -45.3 94.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.609 ' SD ' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -68.27 -44.81 74.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.687 HD21 HD21 ' A' ' 201' ' ' LEU . 5.9 mp -80.89 6.03 14.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 1.9 t30 -102.04 -49.17 4.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 191' ' ' VAL . 2.3 t -97.69 11.6 36.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.172 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.679 HG23 ' HZ2' ' A' ' 155' ' ' TRP . 0.9 OUTLIER -51.47 -176.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.583 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -159.89 59.39 0.31 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . 0.716 ' HA2' ' HB1' ' A' ' 163' ' ' ALA . . . -112.17 -71.27 0.59 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -177.81 130.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.543 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -57.52 -41.84 81.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.56 74.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.04 79.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.479 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.07 -33.19 68.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 111.044 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.85 -53.51 54.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 53.9 mtm -64.56 -46.4 82.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.745 HD12 ' HA3' ' A' ' 269' ' ' GLY . 1.4 tp -57.95 -41.97 83.95 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.574 1.171 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -61.29 -40.94 95.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 0.7 OUTLIER -66.77 -37.99 85.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . 0.401 HG23 ' OE1' ' A' ' 208' ' ' GLU . 0.9 OUTLIER -70.06 -40.69 74.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.478 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.699 HD11 ' HA ' ' A' ' 266' ' ' ILE . 31.4 mt -67.04 -55.99 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -40.92 85.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 32.8 tt0 -67.21 -29.21 68.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . 0.527 ' OE1' HD22 ' A' ' 268' ' ' LEU . 0.8 OUTLIER -64.72 -32.05 73.55 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.61 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -74.75 -49.75 19.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -58.31 -48.31 80.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 208' ' ' GLU . 3.0 pp20? -67.08 -36.52 82.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -59.08 -60.63 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 107.961 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -56.34 -33.2 65.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -59.23 -42.1 90.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . 0.528 ' HB3' HG21 ' A' ' 256' ' ' ILE . 18.2 Cg_endo -74.99 102.86 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -116.72 143.55 45.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.61 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -51.19 -38.41 40.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -35.75 76.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 110.016 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -74.35 -48.5 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.731 ' CG1' HG22 ' A' ' 258' ' ' VAL . 7.0 mt -61.41 -24.24 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -77.07 -23.14 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 86.52 25.91 34.48 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.172 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.43 -38.44 49.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 0.781 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 240' ' ' THR . 25.2 m -130.42 5.44 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.425 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 8.4 t -121.61 157.92 29.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . 0.47 ' CG2' ' HG2' ' A' ' 244' ' ' GLN . 0.7 OUTLIER -96.88 176.66 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.526 HD22 HD12 ' A' ' 247' ' ' ILE . 1.4 tm? -67.11 -58.74 4.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . 0.47 ' HG2' ' CG2' ' A' ' 242' ' ' THR . 0.4 OUTLIER -54.37 -23.12 14.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . 0.427 ' HB2' HG22 ' A' ' 242' ' ' THR . 6.5 mt-10 -71.05 -41.14 71.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 242' ' ' THR . 0.0 OUTLIER -67.93 -53.79 23.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.762 HD11 HG21 ' A' ' 180' ' ' THR . 0.9 OUTLIER -50.84 -41.2 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.88 -51.59 57.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . 0.57 ' CZ3' ' CE1' ' A' ' 252' ' ' HIS . 0.7 OUTLIER -61.22 -31.93 71.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 24.0 mtm -68.13 -23.57 64.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 251' ' ' THR . 30.3 m -118.3 22.35 12.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.57 ' CE1' ' CZ3' ' A' ' 249' ' ' TRP . 0.3 OUTLIER -84.8 170.19 13.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.593 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.03 111.0 32.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 159.42 97.94 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.934 -2.528 . . . . 0.0 110.934 0.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.98 121.3 6.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . 0.613 HG23 ' HD2' ' A' ' 257' ' ' PRO . 7.2 mt -89.9 139.75 27.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.178 . . . . 0.0 109.227 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 256' ' ' ILE . 18.1 Cg_endo -75.0 55.15 3.86 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.56 1.821 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.731 HG22 ' CG1' ' A' ' 236' ' ' ILE . 1.8 t -59.77 -60.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . 0.429 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -60.98 -42.8 99.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -64.36 -32.38 73.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.693 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 9.0 mt -66.3 -46.12 87.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . 0.453 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 0.3 OUTLIER -67.17 -46.69 73.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.925 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -56.18 -40.13 73.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -65.37 -32.93 74.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.693 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 55.0 m0 -62.06 -47.81 83.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 107.991 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.907 HG22 ' CD1' ' A' ' 270' ' ' LEU . 79.4 mt -57.28 -47.21 84.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 173' ' ' SER . 0.4 OUTLIER -60.59 -29.1 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . 0.527 HD22 ' OE1' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -64.49 -56.46 13.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.745 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.04 -58.66 11.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.907 ' CD1' HG22 ' A' ' 266' ' ' ILE . 14.7 mt -44.93 -33.1 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . 0.418 ' N ' HD11 ' A' ' 169' ' ' ILE . 1.1 m-20 -64.26 -45.22 89.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 269' ' ' GLY . 66.0 mttt -69.17 -37.61 78.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 201' ' ' LEU . 60.1 mt -59.7 -45.73 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 270' ' ' LEU . 79.5 t -71.34 -41.35 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -58.06 -16.5 13.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.16 -28.68 14.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 0.73 ' CD2' ' CE2' ' A' ' 164' ' ' PHE . 7.7 t80 -103.38 17.36 24.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.155 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.91 116.49 48.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.359 1.103 0 O-C-N 124.545 1.813 . . . . 0.0 110.964 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.066 HG11 HG21 ' A' ' 34' ' ' ILE . 30.0 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.616 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -103.59 152.09 22.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.0 179.64 7.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.975 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.64 -57.46 18.8 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.41 -41.69 29.71 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -41.32 87.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.354 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.618 ' CD1' HD13 ' A' ' 31' ' ' LEU . 8.0 tp -65.05 -40.91 95.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -55.86 -31.58 62.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.404 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -77.03 -44.86 29.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.894 ' CE3' HD12 ' A' ' 85' ' ' LEU . 42.1 t-105 -56.96 -63.69 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 107.98 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 4.6 tt0 -53.69 -35.45 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -52.77 -55.42 22.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.82 HD13 HG13 ' A' ' 84' ' ' VAL . 4.4 mt -54.06 142.7 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.629 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 5.6 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.459 0.171 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HE2' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -143.29 163.29 33.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.618 HD13 ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -60.96 -28.89 69.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -42.96 99.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.467 ' CE1' ' HE2' ' A' ' 30' ' ' LYS . 17.3 m80 -64.17 -36.32 83.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.066 HG21 HG11 ' A' ' 7' ' ' VAL . 7.1 mt -63.9 -50.21 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -49.44 -43.58 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -62.7 -40.6 97.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.508 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.4 -51.89 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.614 ' HA ' HD12 ' A' ' 41' ' ' LEU . 5.8 p -57.9 -34.89 70.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -60.75 -41.03 94.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.32 -34.97 79.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.233 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.932 ' O ' HG12 ' A' ' 46' ' ' VAL . 77.1 mt -59.06 -49.33 78.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.96 -39.13 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.38 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -38.89 77.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 9.0 t80 -76.68 -0.39 23.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 70.01 46.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.932 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.9 p -124.9 149.4 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -65.13 135.2 96.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -18.96 18.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.78 -12.66 54.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.563 1.165 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.509 HD12 HG22 ' A' ' 46' ' ' VAL . 24.8 mt -73.51 -30.78 63.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 0.752 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.695 HD11 HD22 ' A' ' 85' ' ' LEU . 13.3 tp -78.51 -15.89 58.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -22.11 54.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.554 1.159 . . . . 0.0 110.378 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.96 150.39 48.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.446 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.516 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 11.1 t -64.79 -31.44 72.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.964 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 56' ' ' GLY . 12.7 pt-20 -63.07 -39.93 96.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.664 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -71.18 -40.41 61.46 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.431 1.082 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.605 ' SG ' HD12 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -63.87 -44.0 94.41 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -34.58 73.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.08 -37.37 75.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.739 HG12 HD22 ' A' ' 41' ' ' LEU . 1.1 mp -70.99 -72.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.572 ' N ' HG22 ' A' ' 60' ' ' ILE . 10.6 tp -41.99 -38.01 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.51 -48.58 83.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.401 1.063 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.6 19.48 11.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 0.812 . . . . 0.0 110.359 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.491 HD23 ' CD2' ' A' ' 79' ' ' TYR . 14.6 tp -104.13 -27.54 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.606 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.6 tm0? -51.94 -45.44 92.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.02 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.42 1.747 . . . . 0.0 111.012 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.831 ' HA ' HG22 ' A' ' 70' ' ' THR . 18.5 m -68.73 -12.03 60.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.908 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.9 mt -71.02 -43.8 67.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' A' ' 66' ' ' PRO . 3.0 pt20 -74.64 -6.9 51.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.831 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.77 -5.08 10.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.388 1.055 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.775 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -82.42 -99.42 0.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.7 p 169.19 -175.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.54 -41.23 98.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -47.12 58.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.775 HD13 ' CA ' ' A' ' 71' ' ' GLY . 6.6 tt -61.72 -33.86 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.61 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -61.59 -40.29 94.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.5 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -65.47 -30.8 71.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.67 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -63.86 -41.34 97.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.908 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.6 t80 -62.33 -42.77 99.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.557 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.1 OUTLIER -58.38 -32.19 68.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 37' ' ' ALA . 95.3 m -68.64 -48.7 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.541 HD13 HG21 ' A' ' 60' ' ' ILE . 19.1 mt -67.06 -32.1 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.961 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -60.43 -58.79 7.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.243 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.82 HG13 HD13 ' A' ' 19' ' ' ILE . 3.1 t -58.14 -42.48 83.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.894 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.52 -46.34 80.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -60.02 -32.96 71.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.455 ' HB2' HG22 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -70.74 -37.96 73.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 108.267 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.8 t -62.88 -32.71 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.516 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 22.7 m80 -67.8 -40.24 83.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.511 ' CB ' HD11 ' A' ' 92' ' ' ILE . 5.8 mm-40 -84.98 -20.11 31.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER 71.43 39.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.511 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.9 mp -75.89 141.78 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -64.43 107.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.447 HG21 ' SG ' ' A' ' 87' ' ' CYS . 12.0 m -135.54 174.3 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -144.38 -48.03 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.245 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.92 170.86 9.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.466 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 99.2 m -59.63 -46.2 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -58.19 -32.03 67.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -33.2 74.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 110.352 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.814 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -70.09 -39.86 75.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 2.0 mp -56.65 -45.99 81.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -73.14 -41.0 64.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.445 ' HB3' HG21 ' A' ' 92' ' ' ILE . 7.2 mptt -64.53 -62.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.961 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pt -55.48 -28.25 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 5.7 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.36 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.52 HG12 HG21 ' A' ' 151' ' ' THR . 1.3 tt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 159.88 54.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.032 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.93 14.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.561 1.822 . . . . 0.0 111.024 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.89 -37.37 87.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.536 ' OG1' HD21 ' A' ' 175' ' ' LEU . 0.6 OUTLIER -66.99 -36.01 81.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.413 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.982 ' O ' HG23 ' A' ' 156' ' ' VAL . 23.7 mt -63.54 -43.05 98.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -37.45 85.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -63.46 -49.06 75.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 63.7 t-105 -62.3 -43.76 98.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 108.042 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.982 HG23 ' O ' ' A' ' 152' ' ' LEU . 47.4 t -45.58 -43.49 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -70.27 -34.35 72.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 154' ' ' ALA . 92.4 t -63.71 -37.72 80.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.381 1.05 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.602 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 25.1 t -67.89 -46.37 82.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -19.31 64.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.78 -38.5 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.689 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -127.81 -63.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.55 -48.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.455 ' C ' HG22 ' A' ' 274' ' ' VAL . 0.1 OUTLIER -160.85 60.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.47 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -111.22 170.76 4.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.029 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -19.19 17.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.767 . . . . 0.0 110.968 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -92.08 -1.57 57.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.095 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -102.68 -33.45 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.609 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.6 mm -51.49 -46.14 90.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.07 -35.49 3.06 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -33.77 75.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.477 ' HE2' HD12 ' A' ' 267' ' ' ILE . 2.3 t80 -68.41 -36.23 78.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . 0.484 ' OG ' HD11 ' A' ' 267' ' ' ILE . 0.8 OUTLIER -64.3 -41.66 96.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.114 . . . . 0.0 109.917 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.92 91.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.536 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -77.21 -10.01 59.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.838 ' OG ' HD21 ' A' ' 184' ' ' LEU . 9.0 t -111.19 13.74 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -42.17 103.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 40.75 66.01 0.94 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.91 -175.62 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.935 HG21 HD11 ' A' ' 247' ' ' ILE . 1.2 p -109.44 -177.25 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.67 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.2 Cg_endo -74.99 -36.75 2.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.565 1.824 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -70.01 -42.6 72.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 110.248 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.48 ' OD2' HD12 ' A' ' 147' ' ' ILE . 0.0 OUTLIER -68.03 -48.99 64.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.838 HD21 ' OG ' ' A' ' 176' ' ' SER . 60.7 mt -62.79 -39.48 94.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.67 -33.79 76.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.881 HG22 HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -60.6 -47.91 84.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.362 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.566 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 5.2 ttm -61.91 -46.24 90.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.84 -20.41 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -79.17 -41.78 27.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.632 ' HB ' HD22 ' A' ' 152' ' ' LEU . 2.0 t -78.23 0.1 26.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.443 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.693 HG22 ' H ' ' A' ' 192' ' ' GLY . 1.4 p -54.57 -167.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.693 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -86.48 29.44 4.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.554 1.159 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . 0.429 ' N ' HG13 ' A' ' 191' ' ' VAL . . . 56.65 27.58 55.24 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 197' ' ' ALA . 0.8 OUTLIER -70.15 73.44 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 109.595 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -57.26 -43.66 83.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.67 77.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 194' ' ' HIS . . . -60.61 -48.98 79.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.401 ' SD ' ' O ' ' A' ' 194' ' ' HIS . 0.0 OUTLIER -58.23 -33.5 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -62.97 -54.72 33.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 24.0 mtm -68.83 -29.01 67.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.66 HD13 ' HA3' ' A' ' 269' ' ' GLY . 35.6 tp -72.18 -36.42 69.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -64.94 -35.1 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.5 tt0 -67.9 -45.35 74.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.236 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.11 -49.47 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.525 HD11 HG12 ' A' ' 266' ' ' ILE . 8.6 mt -60.82 -55.68 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -57.96 -32.55 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 0.7 OUTLIER -73.15 -29.71 63.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . 0.603 ' CD ' HD13 ' A' ' 268' ' ' LEU . 7.7 mm-40 -64.95 -38.42 90.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.568 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -69.94 -50.35 42.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.74 -47.9 76.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . 0.422 ' OE2' ' CG ' ' A' ' 207' ' ' GLU . 3.0 mt-10 -67.08 -34.56 77.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -61.62 -65.29 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -56.09 -33.05 64.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -30.59 70.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . 0.624 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.4 pp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . 0.528 ' O ' ' CG ' ' A' ' 230' ' ' GLU . 6.2 pt-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . 0.429 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.3 Cg_endo -74.97 143.26 28.95 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -85.16 169.34 13.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.568 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -44.22 -39.24 5.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -42.07 87.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . 0.429 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 10.2 m-20 -61.11 -39.44 89.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.473 ' CG1' ' CG2' ' A' ' 258' ' ' VAL . 3.8 mt -60.28 -33.05 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.99 -15.04 62.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 79.12 25.97 58.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . 0.499 HG22 HG23 ' A' ' 240' ' ' THR . 0.8 OUTLIER -89.68 -38.29 13.99 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.462 0.742 . . . . 0.0 110.353 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . 0.499 HG23 HG22 ' A' ' 239' ' ' THR . 40.5 p -104.28 -0.7 27.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.93 141.92 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 245' ' ' GLU . 0.6 OUTLIER -74.19 172.08 12.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.417 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.625 HD13 HG12 ' A' ' 247' ' ' ILE . 2.9 tm? -69.89 -57.75 4.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.54 -28.4 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . 0.426 ' HB2' HG22 ' A' ' 242' ' ' THR . 12.4 mt-10 -70.41 -48.81 54.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -67.33 -42.58 83.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.238 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.935 HD11 HG21 ' A' ' 180' ' ' THR . 38.8 mm -48.92 -57.35 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -61.03 -45.44 96.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . 0.52 ' CD1' HD13 ' A' ' 256' ' ' ILE . 0.1 OUTLIER -56.05 -31.29 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 10.5 ttm -67.32 -40.96 86.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.9 p -107.05 22.32 16.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 255' ' ' PRO . 54.1 t-80 -86.85 170.04 12.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 109.57 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 6.1 m-20 -120.78 112.0 34.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.5 Cg_endo -74.98 159.27 98.25 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.049 0.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.09 122.35 7.11 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . 0.52 HD13 ' CD1' ' A' ' 249' ' ' TRP . 6.8 mt -92.47 112.44 55.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.276 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.41 3.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.959 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.3 OUTLIER -64.91 -40.75 90.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.18 -40.21 98.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.46 -31.84 70.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 110.31 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.959 HD12 ' HA ' ' A' ' 258' ' ' VAL . 21.4 mt -63.31 -45.91 96.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . 0.67 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 34.4 t80 -73.34 -45.73 53.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.08 -37.26 69.09 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.586 1.179 . . . . 0.0 109.218 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -68.59 -34.37 75.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.591 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 52.6 m0 -62.2 -46.05 90.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 107.978 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.892 HG22 ' CD1' ' A' ' 270' ' ' LEU . 48.2 mt -56.95 -47.32 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.484 HD11 ' OG ' ' A' ' 173' ' ' SER . 0.3 OUTLIER -60.07 -32.92 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . 0.603 HD13 ' CD ' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -57.9 -57.77 11.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.66 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.07 -58.75 11.37 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.892 ' CD1' HG22 ' A' ' 266' ' ' ILE . 12.8 mt -43.0 -34.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.11 -47.75 78.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 269' ' ' GLY . 3.5 tttt -66.71 -38.47 86.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 270' ' ' LEU . 26.7 mt -62.28 -44.64 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 270' ' ' LEU . 97.3 t -64.38 -46.03 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.135 . . . . 0.0 109.216 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -60.89 -16.24 39.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.4 ttt -95.2 -37.9 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -95.67 16.95 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 12.3 p -72.04 152.69 92.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.47 1.774 . . . . 0.0 110.923 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.788 HG11 HG21 ' A' ' 34' ' ' ILE . 2.9 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.621 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.7 mt -106.08 160.5 15.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.33 179.93 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.023 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.11 -57.55 19.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.155 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.12 -39.5 23.26 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -39.59 81.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.483 ' CD1' HD13 ' A' ' 31' ' ' LEU . 13.9 tp -69.92 -40.78 75.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -31.63 63.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.944 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -79.7 -42.06 25.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.851 ' CE3' HD12 ' A' ' 85' ' ' LEU . 31.5 t-105 -57.0 -62.37 1.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -56.43 -36.86 69.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -51.45 -48.43 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.944 HD12 ' O ' ' A' ' 15' ' ' LYS . 2.5 mp -56.0 143.36 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.738 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 1.5 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.467 0.175 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -142.87 167.71 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.483 HD13 ' CD1' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -63.06 -27.47 69.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -45.84 92.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -63.18 -35.65 81.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.58 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.788 HG21 HG11 ' A' ' 7' ' ' VAL . 3.7 mt -62.88 -49.91 81.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.4 -41.4 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.442 ' CZ3' ' HA ' ' A' ' 78' ' ' LEU . 52.6 t90 -62.25 -37.67 86.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.003 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.604 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -58.83 -53.64 56.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.728 ' HA ' HD23 ' A' ' 51' ' ' LEU . 9.5 p -63.39 -34.77 78.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -60.52 -35.37 75.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 110.363 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.52 -34.33 69.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.838 ' O ' HG12 ' A' ' 46' ' ' VAL . 6.7 mt -57.81 -50.86 71.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 5.8 pt-20 -62.34 -31.72 72.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -76.23 -12.92 60.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.59 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 27.6 t80 -98.93 -0.18 42.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 76.72 25.58 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.838 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.8 p -114.95 150.51 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.84 135.12 96.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -18.89 18.33 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.521 1.801 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.52 -13.64 51.39 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.53 HD12 HG22 ' A' ' 46' ' ' VAL . 29.5 mt -71.49 -16.75 62.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.728 HD23 ' HA ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -85.76 -7.63 58.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -92.22 -21.68 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.24 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.1 p -125.43 147.58 49.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 110.42 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.57 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 15.5 t -70.11 -26.33 63.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -63.4 -50.16 70.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.718 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -67.87 -35.13 84.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.617 ' SG ' HG23 ' A' ' 82' ' ' ILE . 5.4 t -64.05 -41.82 97.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -59.84 -36.47 76.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -29.94 70.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.774 HG21 HD13 ' A' ' 82' ' ' ILE . 1.1 mp -73.9 -74.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.594 ' N ' HG22 ' A' ' 60' ' ' ILE . 13.6 tp -40.81 -36.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.88 -49.11 79.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.451 1.095 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -95.79 22.48 7.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.356 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.517 HD23 ' CD2' ' A' ' 79' ' ' TYR . 14.8 tp -109.87 -26.95 9.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.598 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 5.7 tm0? -53.3 -45.1 98.57 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.08 -40.45 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.575 1.829 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.786 ' HA ' HG22 ' A' ' 70' ' ' THR . 44.1 m -68.7 -11.59 60.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.386 1.053 . . . . 0.0 110.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.966 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.2 mt -71.21 -43.22 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -73.5 -7.26 51.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.786 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.9 t -121.49 -4.73 9.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.887 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -78.8 -97.6 0.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 11.8 p 164.15 -172.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.508 0.769 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.402 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -62.48 -43.2 99.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 8.3 pt-20 -72.64 -38.6 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.887 HD13 ' HA2' ' A' ' 71' ' ' GLY . 4.9 tt -65.84 -34.7 78.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.5 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -62.3 -49.05 77.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.66 -35.43 65.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -60.79 -47.21 87.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.966 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.6 t80 -63.43 -41.12 98.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.627 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.4 t-20 -61.67 -32.34 72.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.748 HG23 ' HH2' ' A' ' 16' ' ' TRP . 4.1 m -70.52 -47.13 61.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.404 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.774 HD13 HG21 ' A' ' 60' ' ' ILE . 72.8 mt -63.76 -42.5 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.112 . . . . 0.0 109.38 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 1.097 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -51.41 -53.47 36.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.533 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 3.8 t -58.9 -42.82 86.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.851 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.52 -40.98 75.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.405 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 31.8 t80 -59.91 -39.66 86.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.444 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -67.97 -36.98 80.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 0.0 108.301 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.9 t -66.33 -41.88 89.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 20.7 m80 -55.89 -40.12 72.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.577 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.46 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 0.4 OUTLIER -89.22 -14.86 34.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.298 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.48 39.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.46 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.3 mp -75.81 140.97 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.31 94.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.63 HG23 ' CG1' ' A' ' 19' ' ' ILE . 15.7 m -111.03 172.76 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.09 -51.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.396 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.12 170.44 11.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.627 HG22 ' CG ' ' A' ' 80' ' ' ASN . 54.1 m -60.41 -45.65 92.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -31.29 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.59 -38.62 88.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -67.69 -37.63 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.488 HD13 ' OD1' ' A' ' 80' ' ' ASN . 2.0 mp -54.43 -48.26 71.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -73.42 -40.4 64.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.216 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -63.31 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.097 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -55.28 -27.7 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.524 HG12 HG21 ' A' ' 151' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.03 160.69 51.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.08 14.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -65.02 -39.74 93.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.17 . . . . 0.0 110.339 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.524 HG21 HG12 ' A' ' 147' ' ' ILE . 1.0 OUTLIER -73.81 -38.29 64.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.851 HD11 HG21 ' A' ' 186' ' ' THR . 27.4 mt -65.57 -33.17 75.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -48.55 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.33 -49.15 78.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.642 ' HZ2' HG23 ' A' ' 191' ' ' VAL . 3.2 t90 -61.61 -49.69 75.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.038 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 152' ' ' LEU . 2.9 t -45.87 -44.22 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -60.22 -34.23 73.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 155' ' ' TRP . 96.9 t -72.04 -45.43 63.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.757 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 2.7 t -57.51 -44.61 85.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.613 1.196 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -36.16 68.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -55.53 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.691 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 11.3 mmtt -127.51 -52.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 159' ' ' VAL . . . 85.96 -47.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.523 ' CE2' ' HA3' ' A' ' 193' ' ' GLY . 11.8 m-85 -143.27 124.52 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.531 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER 177.99 171.38 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -19.44 17.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.545 1.813 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.07 0.05 55.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -103.72 -33.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.627 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 29.2 mm -53.09 -45.47 98.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -74.93 -37.65 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -31.72 72.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.599 ' CE2' ' SD ' ' A' ' 187' ' ' MET . 0.8 OUTLIER -64.85 -44.43 89.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.024 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 81.3 p -68.13 -31.05 70.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.72 91.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.398 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -77.22 -31.77 55.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.816 ' OG ' HD21 ' A' ' 184' ' ' LEU . 25.0 t -87.35 13.89 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.13 94.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 71.29 57.34 6.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.72 -175.82 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.896 HG21 HD11 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -120.65 -174.61 0.3 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.555 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.4 Cg_endo -74.97 -41.99 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.15 -46.45 64.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -61.43 -49.22 77.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.816 HD21 ' OG ' ' A' ' 176' ' ' SER . 70.3 mt -65.77 -32.39 73.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 2.3 m-20 -62.0 -42.61 99.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.851 HG21 HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -61.13 -39.98 92.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.394 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.611 ' O ' ' CZ2' ' A' ' 155' ' ' TRP . 1.2 ttm -69.85 -45.95 66.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.505 HD13 HD13 ' A' ' 266' ' ' ILE . 0.3 OUTLIER -81.74 6.73 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 2.5 t30 -101.68 -46.36 4.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.465 HG22 ' CH2' ' A' ' 155' ' ' TRP . 1.6 t -97.49 7.78 45.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.85 HG11 ' CE ' ' A' ' 198' ' ' MET . 1.7 p -51.39 -175.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.666 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -154.05 79.91 0.19 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . 0.523 ' HA3' ' CE2' ' A' ' 164' ' ' PHE . . . -135.92 -62.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 171.78 129.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.628 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -58.0 -42.15 84.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.83 -49.38 75.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.1 79.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.85 ' CE ' HG11 ' A' ' 191' ' ' VAL . 5.7 mmt -58.03 -33.42 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -71.85 -54.53 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -58.98 -33.06 70.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.693 HD13 ' HA3' ' A' ' 269' ' ' GLY . 3.1 tp -69.68 -37.99 76.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -57.53 -39.6 76.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -40.17 88.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.38 -36.2 78.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.472 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 266' ' ' ILE . 24.5 mt -69.85 -55.33 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -57.88 -42.78 85.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 109.372 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.76 -35.7 81.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . 0.466 ' HG3' HD13 ' A' ' 268' ' ' LEU . 31.4 mm-40 -68.56 -27.57 66.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.824 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -69.14 -50.19 50.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.22 80.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -38.63 91.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -57.89 -62.33 1.89 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.27 -33.19 65.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -30.11 68.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . 0.576 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.7 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . 0.427 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.3 Cg_endo -75.05 141.98 27.14 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . 0.427 ' CG ' ' OD1' ' A' ' 235' ' ' ASP . 13.8 ptt180 -85.8 171.25 11.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.824 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -46.02 -38.3 8.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 237' ' ' ALA . 57.9 m -66.96 -36.18 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . 0.427 ' OD1' ' CG ' ' A' ' 232' ' ' ARG . 1.7 m-20 -69.45 -48.04 62.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.429 ' HA ' ' NE2' ' A' ' 246' ' ' GLN . 12.1 mt -60.56 -18.47 16.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . . . -75.39 -20.68 58.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.595 1.184 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 97.14 17.68 31.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.29 -38.22 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 24.2 m -114.58 -0.27 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 75.5 m -134.27 145.4 49.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . 0.595 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.4 OUTLIER -90.19 176.68 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.601 HD11 ' CD1' ' A' ' 247' ' ' ILE . 3.4 tm? -69.37 -51.62 34.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -50.8 -52.89 36.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . 0.469 ' H ' HG22 ' A' ' 242' ' ' THR . 8.6 mt-10 -61.06 -31.08 70.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . 0.438 ' CD ' ' CG1' ' A' ' 258' ' ' VAL . 0.8 OUTLIER -69.18 -72.59 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.896 HD11 HG21 ' A' ' 180' ' ' THR . 0.6 OUTLIER -42.74 -33.91 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -61.84 -51.8 54.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . 0.6 ' CD1' HD13 ' A' ' 256' ' ' ILE . 0.8 OUTLIER -65.63 -33.35 75.69 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . 0.45 ' CE ' HG13 ' A' ' 247' ' ' ILE . 0.9 OUTLIER -57.56 -35.78 70.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.7 p -118.06 22.12 12.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 83.1 t60 -79.94 170.13 16.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.488 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 1.9 m-20 -120.57 111.52 34.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -74.94 159.46 97.96 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.029 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -75.0 124.9 8.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . 0.6 HD13 ' CD1' ' A' ' 249' ' ' TRP . 4.6 mt -101.53 136.42 19.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.671 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.0 Cg_endo -75.02 59.09 5.11 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.597 1.841 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 259' ' ' GLY . 2.5 t -65.2 -68.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . 0.469 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -63.31 -31.81 82.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.067 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.26 -36.14 76.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 257' ' ' PRO . 7.0 mt -63.65 -42.24 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . 0.569 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 0.4 OUTLIER -63.98 -39.36 93.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.074 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -62.34 -45.51 92.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 263' ' ' LYS . 0.2 OUTLIER -55.22 -36.47 66.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.311 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.614 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 46.5 m0 -61.95 -43.29 99.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.054 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.97 HG22 HD11 ' A' ' 270' ' ' LEU . 90.1 mt -57.81 -47.82 85.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -29.75 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . 0.466 HD13 ' HG3' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -57.92 -59.56 5.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.256 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.693 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.27 -58.86 10.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.97 HD11 HG22 ' A' ' 266' ' ' ILE . 11.4 mt -42.7 -35.93 1.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 0.737 . . . . 0.0 109.329 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.29 -47.35 82.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 269' ' ' GLY . 7.3 tptt -66.12 -37.56 86.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 0.902 HD12 ' HA ' ' A' ' 270' ' ' LEU . 16.4 mt -62.39 -46.07 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 270' ' ' LEU . 74.1 t -62.98 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -63.71 -16.33 60.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -92.21 -38.01 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 277' ' ' TYR . 16.3 t80 -97.48 15.48 23.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.6 151.44 52.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.538 1.81 . . . . 0.0 110.995 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.907 HG11 HG21 ' A' ' 34' ' ' ILE . 2.9 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.605 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 10.7 mt -98.35 151.55 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.81 179.74 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.72 -57.67 18.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -41.07 27.37 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.49 -39.54 84.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.236 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.622 ' CD1' HD11 ' A' ' 31' ' ' LEU . 7.2 tp -66.87 -41.23 87.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 37.0 t0 -55.84 -32.04 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -44.92 35.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.758 ' CE3' HD12 ' A' ' 85' ' ' LEU . 53.3 t-105 -56.58 -61.38 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.91 -21.76 45.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 7.5 tttt -90.52 40.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.891 HD13 HG13 ' A' ' 84' ' ' VAL . 56.8 mt -141.46 145.88 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 16' ' ' TRP . 3.1 m-85 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.467 0.175 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -130.57 173.96 10.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.622 HD11 ' CD1' ' A' ' 13' ' ' LEU . 2.6 mm? -61.04 -28.04 68.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.61 -45.55 93.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -62.93 -35.68 80.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.574 1.171 . . . . 0.0 109.594 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.907 HG21 HG11 ' A' ' 7' ' ' VAL . 3.5 mt -62.56 -49.53 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -51.46 -43.3 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.409 ' CZ2' ' OE2' ' A' ' 40' ' ' GLU . 61.6 t90 -62.7 -40.72 98.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.816 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.1 -53.0 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.204 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.782 ' HA ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -61.33 -35.58 77.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.41 1.069 . . . . 0.0 109.977 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -41.08 95.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.409 ' OE2' ' CZ2' ' A' ' 36' ' ' TRP . 1.6 mt-10 -63.11 -37.5 87.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 38' ' ' SER . 17.8 mt -61.25 -45.09 95.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -56.89 -35.58 69.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -24.71 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.596 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.8 OUTLIER -75.98 -3.95 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 111.043 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 77.62 22.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.63 HG22 HD12 ' A' ' 50' ' ' LEU . 5.0 p -116.59 147.42 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.95 138.13 97.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -18.69 18.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.11 -12.18 54.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.434 1.084 . . . . 0.0 111.006 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.63 HD12 HG22 ' A' ' 46' ' ' VAL . 23.5 mt -76.36 -17.56 59.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.796 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.737 HD13 HD11 ' A' ' 41' ' ' LEU . 8.1 tp -90.71 -4.79 56.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.03 -22.09 27.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.85 160.82 28.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.482 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.513 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 4.9 t -69.89 -32.6 71.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 110.034 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.13 -49.76 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.615 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -61.61 -41.54 99.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.709 ' SG ' HD12 ' A' ' 51' ' ' LEU . 1.3 m -64.08 -41.91 97.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -59.95 -41.74 92.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -38.86 91.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.382 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.713 HG12 HD22 ' A' ' 41' ' ' LEU . 1.1 mp -71.97 -73.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.585 HD11 ' CE1' ' A' ' 79' ' ' TYR . 11.6 tp -41.61 -37.62 1.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.23 -48.99 83.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.02 22.97 8.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD23 ' CD2' ' A' ' 79' ' ' TYR . 14.2 tp -108.71 -25.49 10.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.598 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 tm0? -53.51 -45.57 98.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.99 -39.93 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.809 ' HA ' HG22 ' A' ' 70' ' ' THR . 36.8 m -68.65 -12.06 60.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.029 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.938 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.7 mt -71.22 -43.74 66.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -7.0 51.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.809 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.9 t -119.97 -5.15 10.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.418 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.6 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.42 -99.04 0.4 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.3 p 168.37 -176.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -41.08 96.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -71.23 -46.91 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.6 HD13 ' CA ' ' A' ' 71' ' ' GLY . 8.4 tt -60.68 -34.14 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.543 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.37 -43.4 98.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.9 t -62.09 -30.73 71.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -65.75 -47.17 76.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.938 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.7 t80 -58.87 -42.87 90.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -57.02 -37.75 72.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.816 HG21 ' HB2' ' A' ' 37' ' ' ALA . 79.5 m -60.18 -48.0 83.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mt -67.05 -37.9 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.908 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -57.28 -58.52 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 109.358 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.891 HG13 HD13 ' A' ' 19' ' ' ILE . 3.2 t -58.23 -42.3 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.758 HD12 ' CE3' ' A' ' 16' ' ' TRP . 2.5 mp -56.98 -36.12 69.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -60.16 -53.26 59.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 111.054 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -33.11 72.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.0 t -66.16 -38.55 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.513 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 0.7 OUTLIER -57.82 -40.18 79.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.448 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 1.9 mm-40 -91.41 -8.45 47.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 64.27 43.32 4.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.448 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.2 mp -75.92 141.43 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -62.95 95.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.2 m -117.1 174.01 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 3.3 tttp -140.26 -58.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.475 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 3.6 p-10 -121.96 170.7 9.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.53 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 2.4 m -60.35 -44.41 95.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.433 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.475 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 0.3 OUTLIER -57.13 -32.95 66.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.45 -33.09 73.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.338 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.857 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -71.0 -39.73 72.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.64 -47.54 79.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.71 -41.22 65.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -63.03 -62.12 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.908 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.9 pt -55.83 -27.97 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.692 ' CG2' HG21 ' A' ' 186' ' ' THR . 1.4 tt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.0 163.36 46.22 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -24.68 12.52 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.448 1.762 . . . . 0.0 111.054 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -61.13 -45.12 95.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.519 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -70.14 -40.27 74.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.991 HD21 HG22 ' A' ' 186' ' ' THR . 23.7 mt -62.72 -33.97 76.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.32 -39.66 92.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.73 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -64.75 -46.44 82.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.524 ' CH2' ' CD2' ' A' ' 172' ' ' PHE . 1.3 t-105 -61.43 -48.62 80.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 108.007 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 152' ' ' LEU . 53.3 t -47.25 -41.78 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -70.51 -32.13 69.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 154' ' ' ALA . 89.5 t -66.15 -45.11 91.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.596 HG21 ' HA ' ' A' ' 191' ' ' VAL . 16.9 t -70.18 -46.41 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -16.53 64.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.262 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -82.94 -51.39 7.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.713 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -124.49 -52.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.36 -48.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 164' ' ' PHE . 17.8 p90 -150.01 113.26 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.485 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -170.76 171.17 2.73 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.969 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -18.65 18.51 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.06 1.61 55.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.954 HG22 ' CE1' ' A' ' 172' ' ' PHE . 0.3 OUTLIER -104.6 -34.19 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.639 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.0 mm -55.64 -44.79 99.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.03 -37.71 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -34.94 77.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.954 ' CE1' HG22 ' A' ' 168' ' ' VAL . 5.4 m-30 -64.87 -42.71 94.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.05 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.5 p -70.88 -31.06 67.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.999 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.47 93.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.46 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -75.3 -29.75 60.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.927 ' OG ' HD21 ' A' ' 184' ' ' LEU . 16.0 t -87.76 14.24 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.979 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -44.92 98.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 60.76 59.01 10.93 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.06 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -100.36 -177.82 3.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 0.726 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.736 HG21 HD11 ' A' ' 247' ' ' ILE . 0.2 OUTLIER -110.31 -173.89 0.28 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.5 Cg_endo -74.93 -41.81 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.441 1.758 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -70.15 -64.75 0.83 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -43.57 -39.21 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.927 HD21 ' OG ' ' A' ' 176' ' ' SER . 23.0 mt -66.88 -48.93 67.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -54.75 -36.18 64.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.991 HG22 HD21 ' A' ' 152' ' ' LEU . 0.7 OUTLIER -61.17 -44.23 97.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 110.358 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.505 ' HG2' ' CD2' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -62.58 -45.72 91.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.462 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 2.7 mp -56.65 -25.85 54.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -72.51 -47.7 46.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.493 ' HB ' HG22 ' A' ' 156' ' ' VAL . 0.9 OUTLIER -64.82 -9.97 24.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.596 ' HA ' HG21 ' A' ' 159' ' ' VAL . 0.7 OUTLIER -54.23 -168.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.579 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -84.37 22.98 7.71 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 191' ' ' VAL . . . 57.97 27.94 60.23 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 197' ' ' ALA . 30.4 m-70 -69.52 74.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.625 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.53 -43.29 84.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.39 75.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 194' ' ' HIS . . . -60.87 -48.7 80.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.462 ' CE ' ' HG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -57.99 -32.97 68.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.15 -55.13 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 31.4 mtm -61.82 -46.52 89.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.634 HD13 ' HA3' ' A' ' 269' ' ' GLY . 1.9 tp -62.8 -35.86 81.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -56.03 -40.64 73.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 1.7 tt0 -66.79 -37.15 84.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.6 -37.68 73.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.609 HG23 ' HE3' ' A' ' 265' ' ' TRP . 6.3 mt -70.34 -56.58 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.94 -42.98 86.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 48.4 tt0 -68.59 -29.3 67.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.21 -35.24 79.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.473 ' HB1' ' HA3' ' A' ' 233' ' ' GLY . . . -72.74 -50.11 26.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.604 1.19 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.12 75.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -69.08 -34.59 75.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . 0.565 ' CE3' HD11 ' A' ' 215' ' ' LEU . 26.5 t-105 -60.45 -65.2 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.037 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -56.3 -33.21 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.237 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -58.91 -34.7 71.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.0 pp . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . 0.473 ' CB ' ' CB ' ' A' ' 235' ' ' ASP . 18.2 Cg_endo -75.08 134.12 17.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . 0.631 ' O ' HD12 ' A' ' 236' ' ' ILE . 2.7 mpp_? -87.0 -172.49 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.473 ' HA3' ' HB1' ' A' ' 209' ' ' ALA . . . -52.78 -38.48 53.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . 0.774 ' O ' HG22 ' A' ' 239' ' ' THR . 0.3 OUTLIER -65.29 -47.58 76.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.946 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . 0.473 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.3 m-20 -59.61 -43.68 93.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.625 1.203 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 232' ' ' ARG . 4.0 mt -60.39 -24.29 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -72.44 -22.92 61.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 100.44 16.89 25.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 234' ' ' SER . 10.2 t -82.56 -37.58 24.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 1.3 m -110.28 -2.94 16.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 3.3 t -136.56 147.85 47.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.93 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . 0.404 HG22 ' CG ' ' A' ' 245' ' ' GLU . 1.8 t -93.6 -177.99 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.449 HD22 HD12 ' A' ' 247' ' ' ILE . 3.0 tm? -69.79 -56.0 8.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -47.1 -49.91 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . 0.404 ' CG ' HG22 ' A' ' 242' ' ' THR . 22.5 mt-10 -65.35 -31.37 72.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . 0.482 ' HG3' ' CG1' ' A' ' 258' ' ' VAL . 1.3 tp-100 -62.71 -63.89 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.736 HD11 HG21 ' A' ' 180' ' ' THR . 1.0 OUTLIER -53.24 -41.22 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.22 -42.92 98.88 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.507 1.129 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -35.54 81.51 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 26.5 mtm -66.11 -28.24 68.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 73.8 p -118.45 21.93 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.544 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 20.6 t-80 -88.9 169.45 11.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.649 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.544 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 5.1 m-80 -120.28 112.01 34.79 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.98 159.57 97.81 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.054 -2.478 . . . . 0.0 111.067 0.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -75.0 119.67 5.75 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.543 1.812 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 4.0 mt -95.83 122.74 57.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.706 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.4 Cg_endo -74.98 53.92 3.47 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.408 1.741 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 259' ' ' GLY . 0.3 OUTLIER -65.97 -50.5 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . 0.514 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -66.67 -38.57 93.31 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -69.44 -31.92 70.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 257' ' ' PRO . 7.1 mt -63.13 -43.52 98.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . 0.544 ' CD2' ' HB3' ' A' ' 181' ' ' PRO . 0.2 OUTLIER -64.22 -44.13 92.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.614 ' HB2' HD11 ' A' ' 184' ' ' LEU . 0.3 OUTLIER -60.92 -43.47 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -34.51 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.609 ' HE3' HG23 ' A' ' 205' ' ' ILE . 43.2 m0 -66.22 -43.04 87.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 108.017 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.954 HG22 HD11 ' A' ' 270' ' ' LEU . 66.7 mt -57.36 -47.97 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.586 HG13 HG23 ' A' ' 169' ' ' ILE . 1.2 mp -60.59 -30.45 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -59.96 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.634 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.09 -57.8 15.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.954 HD11 HG22 ' A' ' 266' ' ' ILE . 13.3 mt -42.48 -36.31 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . 0.408 ' ND2' HG21 ' A' ' 169' ' ' ILE . 1.2 m-80 -63.91 -47.8 79.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 269' ' ' GLY . 15.4 tttp -64.23 -43.29 95.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 270' ' ' LEU . 9.2 mt -58.94 -43.69 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 270' ' ' LEU . 22.6 t -64.87 -46.0 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -16.35 20.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -96.94 -37.92 10.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.586 1.179 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.54 17.81 12.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.08 154.99 92.22 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.997 HG11 HG21 ' A' ' 34' ' ' ILE . 8.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.618 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 14.4 mt -108.66 150.03 28.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.65 179.44 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.53 -58.24 15.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.8 -41.23 29.07 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.853 ' OE1' HG12 ' A' ' 88' ' ' VAL . 4.5 mm-40 -59.62 -35.15 73.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.836 HD21 HD21 ' A' ' 31' ' ' LEU . 3.9 tp -72.77 -34.37 66.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.96 -31.73 67.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.498 ' HB3' HG22 ' A' ' 88' ' ' VAL . 1.9 mmtp -77.14 -46.07 24.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.842 ' CE3' HD12 ' A' ' 85' ' ' LEU . 64.1 t-105 -58.37 -38.27 76.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.055 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -71.5 -25.59 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' O ' HD13 ' A' ' 19' ' ' ILE . 2.6 tttp -87.63 47.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.516 HG21 HG11 ' A' ' 84' ' ' VAL . 2.3 mm -132.59 133.82 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CG ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.49 0.186 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -138.2 171.0 15.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.836 HD21 HD21 ' A' ' 13' ' ' LEU . 2.1 mm? -62.05 -26.5 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -61.7 -43.07 99.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -65.81 -35.95 82.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.997 HG21 HG11 ' A' ' 7' ' ' VAL . 5.0 mt -64.11 -50.57 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -51.21 -44.42 29.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -62.67 -39.83 95.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.632 1.207 . . . . 0.0 107.958 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.514 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.44 -50.28 74.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -34.74 78.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.085 . . . . 0.0 109.973 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -41.25 94.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -34.9 79.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.959 ' O ' HG12 ' A' ' 46' ' ' VAL . 76.5 mt -60.95 -47.79 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.218 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -39.71 75.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.441 1.088 . . . . 0.0 110.245 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.3 -37.95 76.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.556 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 19.9 t80 -76.02 -4.4 41.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 74.53 44.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.358 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.959 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.9 p -124.88 150.07 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.18 132.25 95.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -18.84 18.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.537 1.809 . . . . 0.0 111.052 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.34 -11.48 56.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.411 HD12 HG22 ' A' ' 46' ' ' VAL . 27.3 mt -72.53 -32.53 66.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.665 HD11 HD22 ' A' ' 85' ' ' LEU . 10.2 tp -78.88 -16.59 56.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.96 -22.03 58.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.0 p -125.85 157.32 37.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.416 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.559 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 6.9 t -70.12 -30.77 68.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.07 -45.38 93.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.643 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -68.43 -36.66 84.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.576 ' SG ' HD12 ' A' ' 51' ' ' LEU . 1.8 m -63.8 -41.45 97.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -41.3 91.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -36.36 83.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.778 HG21 HD13 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -71.99 -73.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.228 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -45.45 -32.94 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.368 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.24 -49.01 78.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -98.32 22.05 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.37 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 78' ' ' LEU . 14.1 tp -110.38 -23.87 10.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.603 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 7.9 tm0? -53.95 -45.18 99.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.324 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.96 -39.86 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.781 ' HA ' HG22 ' A' ' 70' ' ' THR . 48.8 m -67.93 -11.17 58.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.876 HD11 ' CG ' ' A' ' 79' ' ' TYR . 9.1 mt -68.78 -46.36 68.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -75.81 -6.73 52.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.781 HG22 ' HA ' ' A' ' 67' ' ' SER . 1.2 t -114.86 -7.68 12.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 110.483 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.618 ' HA3' HD12 ' A' ' 75' ' ' LEU . . . -83.51 -99.45 0.56 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.427 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.7 p 167.18 -173.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.72 -41.98 96.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -72.04 -47.5 51.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.651 ' C ' HD13 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -59.31 -33.51 71.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.504 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 1.8 ttp180 -62.56 -45.24 93.84 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.57 1.169 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -31.98 67.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.614 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -65.17 -47.09 78.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.394 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.876 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.1 t80 -64.75 -43.43 93.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.758 ' OD1' HD13 ' A' ' 101' ' ' LEU . 1.5 t-20 -57.51 -30.66 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.528 HG23 ' CH2' ' A' ' 16' ' ' TRP . 75.4 m -69.41 -48.13 61.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.364 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.778 HD13 HG21 ' A' ' 60' ' ' ILE . 10.6 mt -65.76 -34.7 72.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.907 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -55.28 -58.77 6.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.578 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.6 t -58.17 -41.07 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.842 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.64 -39.05 73.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.367 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -61.72 -52.45 64.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.609 ' SG ' HG22 ' A' ' 104' ' ' ILE . 0.7 OUTLIER -59.02 -35.46 73.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 108.3 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.853 HG12 ' OE1' ' A' ' 12' ' ' GLU . 4.3 t -63.33 -40.44 89.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 54' ' ' SER . 44.7 m-70 -56.31 -40.27 74.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.54 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.456 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 6.3 mm-40 -91.16 -9.2 46.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.358 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 64.89 43.75 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.456 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.0 mp -76.04 141.45 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.74 92.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.8 m -111.38 173.42 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -137.25 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -123.01 171.3 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.693 HG22 ' CG ' ' A' ' 80' ' ' ASN . 57.9 m -58.86 -48.7 80.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -32.11 67.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -68.61 -34.46 75.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.872 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -71.17 -38.52 72.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.758 HD13 ' OD1' ' A' ' 80' ' ' ASN . 0.5 OUTLIER -56.2 -52.09 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -70.57 -41.05 72.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -61.25 -61.83 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.907 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 2.3 pt -56.14 -27.71 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.596 HG12 HG21 ' A' ' 151' ' ' THR . 2.2 tt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.32 164.56 40.34 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -25.09 12.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -64.52 -36.98 85.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.596 HG21 HG12 ' A' ' 147' ' ' ILE . 0.4 OUTLIER -71.43 -44.42 64.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.899 ' O ' HG23 ' A' ' 156' ' ' VAL . 18.9 mt -58.73 -41.19 85.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -68.24 -36.43 79.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.48 73.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.61 ' CE2' HG23 ' A' ' 159' ' ' VAL . 25.9 t-105 -62.76 -48.57 78.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 107.965 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 152' ' ' LEU . 41.4 t -44.87 -43.13 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -38.73 92.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.403 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 155' ' ' TRP . 71.8 t -63.97 -45.16 97.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.68 HG11 ' N ' ' A' ' 192' ' ' GLY . 22.7 t -64.04 -42.32 95.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -64.93 -38.03 89.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -57.88 10.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.749 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -160.69 64.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.649 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -35.98 -46.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.45 ' O ' ' CD2' ' A' ' 164' ' ' PHE . 20.1 p90 -113.69 105.55 13.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.636 ' N ' HG22 ' A' ' 274' ' ' VAL . 1.4 p -174.06 164.69 2.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.32 18.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.12 3.52 51.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.749 HG21 ' O ' ' A' ' 162' ' ' LYS . 0.3 OUTLIER -106.18 -33.37 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 4.9 mm -60.21 -43.59 94.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.03 -36.0 2.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.438 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 5.8 mmm -61.85 -42.09 98.62 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.576 1.172 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.615 ' HE2' HD12 ' A' ' 267' ' ' ILE . 1.5 t80 -57.48 -44.45 84.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 53.2 p -59.84 -34.68 73.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 171' ' ' MET . . . -59.76 -45.85 90.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.354 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.32 -21.0 54.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.6 p -87.83 13.74 10.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.74 102.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.356 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 42.29 70.96 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.531 ' HB3' HD21 ' A' ' 184' ' ' LEU . . . -103.66 -175.46 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.999 HG21 HD11 ' A' ' 247' ' ' ILE . 1.3 p -117.65 -176.92 0.41 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.653 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.3 Cg_endo -75.06 -44.27 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -69.88 -51.77 30.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.36 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.99 -48.97 72.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 179' ' ' ALA . 82.4 mt -66.49 -39.89 88.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.58 1.175 . . . . 0.0 109.226 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -54.98 -33.43 62.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.795 ' CG2' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -73.31 -37.46 66.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 1.0 OUTLIER -61.47 -43.4 98.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.959 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.667 HD11 HG12 ' A' ' 266' ' ' ILE . 53.3 mt -84.41 -24.08 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -53.6 -43.27 68.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 191' ' ' VAL . 9.9 t -95.75 -56.23 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.382 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.896 HG21 ' CE ' ' A' ' 198' ' ' MET . 0.3 OUTLIER 39.79 -163.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.732 ' N ' HG13 ' A' ' 191' ' ' VAL . . . -178.25 40.53 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . 0.456 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -120.76 30.03 5.65 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 1.3 t60 84.55 131.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 0.795 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -37.73 80.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.52 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.473 ' HA ' ' CE ' ' A' ' 200' ' ' MET . . . -58.69 -49.76 76.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.896 ' CE ' HG21 ' A' ' 191' ' ' VAL . 0.3 OUTLIER -59.84 -33.04 71.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 0.0 111.025 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.31 -54.9 29.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 197' ' ' ALA . 3.5 ptp -63.26 -28.34 69.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.81 ' HB2' HD11 ' A' ' 273' ' ' ILE . 3.2 tp -71.77 -43.11 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -61.76 -32.58 72.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -46.5 73.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.341 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.76 -40.16 84.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.805 HD11 ' HA ' ' A' ' 266' ' ' ILE . 13.6 mt -64.43 -55.35 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -58.99 -42.04 89.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.71 -29.47 70.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . 0.661 ' HG3' HD13 ' A' ' 268' ' ' LEU . 2.8 mm-40 -62.41 -42.6 99.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.236 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.475 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -65.38 -47.76 75.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.97 74.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 21.6 t-105 -61.12 -51.56 68.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -38.07 73.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -59.65 -41.58 90.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.314 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 232' ' ' ARG . 1.2 mt-10 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . 0.433 ' CB ' ' CB ' ' A' ' 235' ' ' ASP . 18.4 Cg_endo -74.97 120.07 5.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.491 1.784 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 235' ' ' ASP . 0.1 OUTLIER -85.75 174.37 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.516 ' HA2' ' CZ2' ' A' ' 265' ' ' TRP . . . -37.06 -38.7 0.36 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . 0.577 ' O ' ' HB3' ' A' ' 237' ' ' ALA . 0.6 OUTLIER -62.38 -52.3 64.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 110.049 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . 0.433 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.0 OUTLIER -61.76 -48.37 81.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.866 HG12 HG22 ' A' ' 258' ' ' VAL . 20.2 mt -61.79 -14.67 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -83.2 -22.79 33.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 98.02 18.59 26.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 2.2 t -89.12 -37.68 14.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.395 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 23.9 m -105.86 -0.3 25.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 14.3 t -144.1 155.65 44.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . 0.56 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -96.14 174.79 6.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.631 HD22 HD12 ' A' ' 247' ' ' ILE . 3.1 tm? -59.38 -54.7 43.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -52.14 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.26 -32.4 72.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.11 -69.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.999 HD11 HG21 ' A' ' 180' ' ' THR . 0.7 OUTLIER -46.68 -38.57 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.24 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.59 -51.95 55.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.44 -31.41 72.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 7.7 mtm -66.02 -30.51 71.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.8 p -116.87 22.18 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 255' ' ' PRO . 57.6 t60 -84.41 172.4 11.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.574 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 9.4 m120 -120.37 112.79 34.11 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.108 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.5 Cg_endo -74.98 159.2 98.36 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.043 -0.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -74.94 121.2 6.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.558 1.82 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . 0.464 HG22 HG23 ' A' ' 258' ' ' VAL . 7.6 mt -88.17 132.94 38.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.546 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.1 Cg_endo -75.03 55.58 4.0 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.866 HG22 HG12 ' A' ' 236' ' ' ILE . 2.2 t -64.45 -62.77 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . 0.421 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.03 -35.95 91.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -32.37 71.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.572 HG22 ' CZ2' ' A' ' 265' ' ' TRP . 8.7 mt -71.51 -45.81 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . 0.653 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 0.9 OUTLIER -63.83 -48.1 78.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -55.96 -31.56 63.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -68.0 -35.11 77.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.572 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 36.4 m0 -61.99 -47.31 85.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 108.008 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.927 HG22 HD11 ' A' ' 270' ' ' LEU . 58.4 mt -57.1 -46.68 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.615 HD12 ' HE2' ' A' ' 172' ' ' PHE . 0.2 OUTLIER -60.14 -31.15 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . 0.661 HD13 ' HG3' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -60.77 -56.58 19.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.667 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.49 -57.42 16.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.927 HD11 HG22 ' A' ' 266' ' ' ILE . 12.5 mt -44.48 -35.42 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -62.88 -45.06 94.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 269' ' ' GLY . 1.3 ttmp? -69.01 -37.47 78.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.403 1.064 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 0.81 HD11 ' HB2' ' A' ' 201' ' ' LEU . 48.8 mt -62.29 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.357 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.636 HG22 ' N ' ' A' ' 165' ' ' SER . 55.1 t -71.21 -37.01 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -68.46 -16.26 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -37.79 18.19 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.88 15.2 29.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 77.9 p -71.93 113.76 23.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.943 HG11 ' CG2' ' A' ' 34' ' ' ILE . 4.7 t . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.608 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.4 mt -106.26 158.31 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.92 -179.87 7.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.0 -57.72 18.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.72 -39.37 21.32 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' A' ' 89' ' ' HIS . 1.3 mt-10 -58.87 -40.93 85.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 0.77 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.597 HD11 HD13 ' A' ' 31' ' ' LEU . 6.1 tp -70.27 -35.47 73.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -33.89 76.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.42 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -76.15 -45.85 31.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.276 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.841 ' CE3' HD12 ' A' ' 85' ' ' LEU . 12.9 t-105 -56.64 -51.96 66.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.038 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.64 -24.71 65.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -13.53 60.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.454 HG13 ' CG1' ' A' ' 84' ' ' VAL . 25.9 mm -65.73 142.3 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.475 0.179 . . . . 0.0 111.017 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -142.31 174.57 10.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.597 HD13 HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.43 -26.16 67.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -45.68 92.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -35.86 82.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.651 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.943 ' CG2' HG11 ' A' ' 7' ' ' VAL . 4.1 mt -63.73 -50.57 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.46 -42.63 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -62.51 -41.58 98.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.614 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.23 -50.63 73.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -34.83 77.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 2.0 mtp180 -60.77 -35.92 77.64 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.5 ' OE2' ' CZ ' ' A' ' 43' ' ' ARG . 17.8 mm-40 -71.2 -34.83 71.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.937 ' O ' HG12 ' A' ' 46' ' ' VAL . 96.0 mt -61.03 -50.11 74.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 9.2 pt-20 -61.97 -31.97 72.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.218 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.5 ' CZ ' ' OE2' ' A' ' 40' ' ' GLU . 11.7 mtp180 -62.85 -38.71 91.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 46.6 t80 -79.08 -2.58 41.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 73.76 48.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.937 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.6 p -125.04 150.0 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.066 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.65 131.24 95.07 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.84 18.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.74 -13.06 55.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.431 1.082 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 60' ' ' ILE . 25.2 mt -74.19 -29.28 61.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 0.0 109.236 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.772 HD11 HD22 ' A' ' 85' ' ' LEU . 9.3 tp -79.61 -14.06 59.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.08 -22.04 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.89 152.56 45.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.579 1.174 . . . . 0.0 110.39 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.509 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 5.1 p -70.04 -28.38 65.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.973 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -63.3 -49.98 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.65 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -70.35 -34.93 68.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.567 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -63.88 -42.79 97.42 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -59.91 -43.04 95.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -58.77 -40.59 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.65 HD12 ' O ' ' A' ' 56' ' ' GLY . 1.1 mp -67.7 -69.8 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.492 ' N ' HG22 ' A' ' 60' ' ' ILE . 14.6 tp -43.46 -34.3 1.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.09 -49.13 59.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -91.01 19.92 5.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 110.314 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.522 HD23 ' CD2' ' A' ' 79' ' ' TYR . 15.5 tp -111.56 -27.06 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.605 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -53.03 -45.11 98.35 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.234 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.91 -40.38 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.81 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.17 -12.1 60.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.942 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.98 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.6 mt -71.08 -44.12 66.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -7.15 51.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.81 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.0 t -120.16 -5.54 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.594 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -81.29 -98.78 0.39 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.492 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 33.7 p 166.42 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.04 -41.07 86.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -46.61 60.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.594 HD13 ' HA2' ' A' ' 71' ' ' GLY . 6.7 tt -59.74 -34.38 72.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.267 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.515 ' HA ' HD22 ' A' ' 68' ' ' LEU . 12.0 ttt180 -61.08 -48.94 79.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -35.88 65.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.953 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -61.2 -47.32 86.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.98 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.7 t80 -63.07 -43.36 98.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.873 ' OD1' HD13 ' A' ' 101' ' ' LEU . 1.7 t-20 -56.21 -33.52 65.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.815 HG23 ' HH2' ' A' ' 16' ' ' TRP . 20.4 m -70.72 -44.84 66.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.567 HG23 ' SG ' ' A' ' 57' ' ' CYS . 21.7 mt -63.77 -39.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 1.03 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -57.92 -54.85 42.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.565 HG12 ' HE3' ' A' ' 16' ' ' TRP . 11.0 t -58.32 -44.45 88.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.841 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.9 -41.22 77.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 61.3 t80 -67.67 -49.58 62.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.572 ' SG ' HG21 ' A' ' 94' ' ' VAL . 4.4 p -60.12 -32.17 70.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.8 t -60.86 -46.72 95.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.509 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 20.7 t-80 -71.78 -23.76 61.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.919 ' CG ' HD11 ' A' ' 92' ' ' ILE . 4.9 tp-100 -85.08 -20.71 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 73.5 42.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.919 HD11 ' CG ' ' A' ' 90' ' ' GLN . 4.9 mm -76.18 141.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -75.93 70.82 2.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.572 HG21 ' SG ' ' A' ' 87' ' ' CYS . 17.1 m -110.97 173.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -135.06 -54.87 0.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.0 170.88 7.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.704 HG22 ' CG ' ' A' ' 80' ' ' ASN . 54.1 m -60.6 -44.52 96.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -61.16 -31.14 70.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -32.0 72.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.843 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -68.55 -47.67 66.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.873 HD13 ' OD1' ' A' ' 80' ' ' ASN . 2.1 mp -56.21 -37.66 69.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -73.06 -47.03 48.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.63 ' HB3' HG21 ' A' ' 92' ' ' ILE . 0.1 OUTLIER -66.72 -58.9 4.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.03 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pt -54.7 -27.98 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 1.3 tm-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.656 ' CG2' HG21 ' A' ' 186' ' ' THR . 1.1 tt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.73 159.77 54.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.8 14.42 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -64.72 -37.25 86.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.593 ' OG1' HD21 ' A' ' 175' ' ' LEU . 0.7 OUTLIER -69.06 -33.71 74.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 1.035 HD21 HG22 ' A' ' 186' ' ' THR . 25.5 mt -69.39 -40.59 77.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.4 -35.27 73.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -67.44 -49.26 64.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.56 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 26.5 t-105 -62.37 -48.21 80.79 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 152' ' ' LEU . 37.8 t -50.91 -43.38 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -61.03 -31.82 71.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.669 HG11 ' HG2' ' A' ' 171' ' ' MET . 52.9 t -75.52 -40.56 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.647 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 13.0 t -64.77 -38.69 83.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.22 -30.61 48.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -88.77 3.42 51.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.706 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 8.9 mttt -161.39 -72.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.97 -48.25 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 277' ' ' TYR . 34.0 p90 -156.21 121.15 4.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.533 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -176.65 170.23 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -19.04 18.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.423 1.749 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -93.88 0.64 56.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -104.25 -33.97 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 22.9 mm -53.93 -45.07 99.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.204 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.01 -35.48 3.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.669 ' HG2' HG11 ' A' ' 158' ' ' VAL . 0.8 OUTLIER -62.22 -38.48 89.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.622 ' HE2' HD12 ' A' ' 267' ' ' ILE . 3.7 t80 -62.98 -44.19 96.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -38.42 75.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.9 90.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.593 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.12 -11.56 59.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.738 ' HB2' HD21 ' A' ' 184' ' ' LEU . 1.6 p -102.84 14.11 32.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.965 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 178' ' ' GLY . 3.2 tt0 -42.94 100.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.12 70.08 0.26 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.76 -177.11 3.27 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.443 0.731 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.837 HG21 HD11 ' A' ' 247' ' ' ILE . 0.6 OUTLIER -110.25 -173.0 0.24 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.132 . . . . 0.0 110.442 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -74.98 -41.82 0.61 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.562 1.822 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -70.16 -43.71 70.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.38 -49.23 74.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.738 HD21 ' HB2' ' A' ' 176' ' ' SER . 38.6 mt -64.25 -41.43 96.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -57.73 -38.01 74.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 1.035 HG22 HD21 ' A' ' 152' ' ' LEU . 1.0 OUTLIER -60.73 -46.99 88.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 0.0 110.408 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.56 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.4 OUTLIER -66.22 -45.41 80.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.438 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 1.1 mp -69.23 -10.14 56.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -88.33 -29.87 20.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 187' ' ' MET . 6.6 t -92.76 -5.45 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.584 HG22 ' H ' ' A' ' 192' ' ' GLY . 1.0 OUTLIER -52.61 -175.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.584 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -171.98 54.08 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . 0.557 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -106.88 26.52 19.12 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 80.1 151.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.59 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -70.82 -37.87 73.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.15 76.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.01 -49.91 76.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.484 ' CE ' HG11 ' A' ' 191' ' ' VAL . 1.7 mmt -58.01 -33.37 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -60.03 -52.08 66.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.9 mtp -66.93 -29.33 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.859 HD12 ' HA3' ' A' ' 269' ' ' GLY . 12.3 tp -62.37 -42.82 99.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 0.0 OUTLIER -68.36 -29.1 67.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 2.7 tt0 -66.72 -46.54 75.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.233 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -48.87 43.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.618 HD11 ' HA ' ' A' ' 266' ' ' ILE . 12.9 mt -58.33 -55.62 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 49.4 t-20 -57.64 -37.72 73.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 23.1 mt-10 -66.59 -29.51 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . 0.59 ' HG3' HD13 ' A' ' 268' ' ' LEU . 0.0 OUTLIER -62.71 -44.24 96.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.481 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -65.39 -45.03 85.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -53.98 -46.5 71.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -60.87 -33.41 73.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . 0.791 ' CZ3' HD11 ' A' ' 215' ' ' LEU . 0.0 OUTLIER -57.17 -66.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -58.01 -32.45 67.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -58.24 -35.66 72.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . 0.791 HD11 ' CZ3' ' A' ' 212' ' ' TRP . 1.8 pp . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . 0.849 ' CG ' HG21 ' A' ' 256' ' ' ILE . 18.5 Cg_endo -75.05 74.06 4.15 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 235' ' ' ASP . 18.9 ptt85 -86.63 151.48 23.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.483 ' HA2' ' CZ2' ' A' ' 265' ' ' TRP . . . -35.06 -39.49 0.18 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . 0.646 ' O ' ' HB3' ' A' ' 237' ' ' ALA . 0.1 OUTLIER -64.74 -53.07 52.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.988 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 232' ' ' ARG . 0.5 OUTLIER -59.76 -48.02 83.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.853 HG12 HG22 ' A' ' 258' ' ' VAL . 44.7 mt -59.95 -17.32 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -78.74 -22.61 46.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 96.64 19.53 27.02 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.26 -38.24 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 11.2 m -106.68 -1.04 23.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 32.7 t -144.27 148.8 35.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . 0.423 ' CG2' ' H ' ' A' ' 245' ' ' GLU . 1.9 t -90.81 -177.14 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.41 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.59 HD22 HD12 ' A' ' 247' ' ' ILE . 2.6 tm? -69.43 -58.78 3.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -47.81 -54.15 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . 0.423 ' H ' ' CG2' ' A' ' 242' ' ' THR . 30.8 mt-10 -62.1 -31.43 71.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -65.06 -68.48 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.36 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.837 HD11 HG21 ' A' ' 180' ' ' THR . 0.8 OUTLIER -41.14 -38.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -61.75 -45.44 96.24 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . 0.464 ' N ' ' O ' ' A' ' 246' ' ' GLN . 0.1 OUTLIER -58.85 -40.12 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 12.8 mtm -58.75 -31.49 68.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 251' ' ' THR . 31.6 m -118.01 22.45 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 255' ' ' PRO . 44.6 t-80 -82.29 171.27 14.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.519 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 9.4 t30 -121.22 111.29 33.79 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.519 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.2 Cg_endo -75.07 158.95 98.61 Favored 'Cis proline' 0 C--N 1.361 1.221 0 C-N-CA 120.948 -2.521 . . . . 0.0 110.99 -0.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.483 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.94 119.66 5.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . 0.849 HG21 ' CG ' ' A' ' 231' ' ' PRO . 7.1 mt -93.61 134.44 26.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 256' ' ' ILE . 18.4 Cg_endo -75.01 55.61 4.01 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.853 HG22 HG12 ' A' ' 236' ' ' ILE . 2.0 t -59.09 -62.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . 0.453 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.21 -41.71 99.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . 0.535 ' HA ' ' CG ' ' A' ' 263' ' ' LYS . 2.5 tt0 -63.66 -31.72 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.593 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 10.6 mt -71.67 -45.51 66.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 0.9 OUTLIER -63.42 -54.25 39.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.543 ' HB3' HD11 ' A' ' 184' ' ' LEU . 0.0 OUTLIER -55.72 -31.37 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.416 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 2.9 mtt85 -66.81 -35.13 79.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.357 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.593 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 40.6 m0 -62.76 -45.4 92.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.952 HG22 ' CD1' ' A' ' 270' ' ' LEU . 69.1 mt -57.19 -47.87 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.622 HD12 ' HE2' ' A' ' 172' ' ' PHE . 0.4 OUTLIER -60.42 -34.41 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . 0.59 HD13 ' HG3' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -61.3 -55.44 31.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.859 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -61.87 -61.33 6.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.952 ' CD1' HG22 ' A' ' 266' ' ' ILE . 12.0 mt -43.35 -32.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.54 -47.45 81.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.8 OUTLIER -69.27 -37.71 78.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 0.762 ' CD1' HD13 ' A' ' 201' ' ' LEU . 94.4 mt -61.08 -45.05 99.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 270' ' ' LEU . 74.6 t -69.37 -45.66 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -16.33 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 3.9 ttt -95.93 -37.84 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 164' ' ' PHE . 5.9 m-85 -96.32 16.33 18.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.53 150.27 79.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.997 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.818 HG11 HG21 ' A' ' 34' ' ' ILE . 2.8 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.621 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.3 mt -106.67 155.01 20.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -86.28 179.78 6.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.58 1.175 . . . . 0.0 109.985 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.26 -57.5 19.39 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.552 1.157 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.16 -40.56 24.15 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -39.85 83.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 0.803 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.532 ' CD1' HD13 ' A' ' 31' ' ' LEU . 6.9 tp -68.03 -41.77 81.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -31.83 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.89 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -77.74 -43.76 29.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.853 ' CE3' HD12 ' A' ' 85' ' ' LEU . 33.8 t-105 -56.76 -62.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -50.46 -32.69 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.368 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -46.49 75.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.89 HD12 ' O ' ' A' ' 15' ' ' LYS . 3.3 mp -58.17 146.19 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.701 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.467 0.175 . . . . 0.0 111.1 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.92 173.36 11.62 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -62.64 -27.89 69.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -61.59 -46.1 91.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -62.8 -35.78 80.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.408 1.068 . . . . 0.0 109.568 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.818 HG21 HG11 ' A' ' 7' ' ' VAL . 3.5 mt -62.86 -49.78 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.13 -42.92 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.477 ' CZ2' ' HB2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -62.65 -41.17 98.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 108.012 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.617 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.27 -53.05 62.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.884 ' HA ' HD12 ' A' ' 41' ' ' LEU . 6.1 p -59.68 -36.84 77.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -60.89 -40.17 92.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.452 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 15.9 tm-20 -63.13 -34.32 77.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 38' ' ' SER . 9.2 mt -68.38 -31.55 71.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.53 -42.58 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -74.42 -19.82 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.492 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -79.75 -4.75 53.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 71.12 35.21 1.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' ' 41' ' ' LEU . 7.3 p -124.97 150.21 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -64.36 129.23 94.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.243 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -18.93 18.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.82 -11.29 57.53 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.046 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 29.5 mt -72.47 -32.31 66.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.457 HD11 HD22 ' A' ' 85' ' ' LEU . 8.3 tp -72.71 -21.05 61.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.368 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -21.8 63.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.9 p -125.53 154.31 42.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.552 ' HA ' ' CE1' ' A' ' 89' ' ' HIS . 9.8 p -70.08 -28.95 65.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.95 -38.59 76.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.668 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -70.94 -43.18 58.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.419 1.074 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.547 ' HB2' HG23 ' A' ' 82' ' ' ILE . 10.9 p -66.73 -35.79 80.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -59.77 -38.33 81.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -68.67 -33.57 74.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.681 HG12 HD22 ' A' ' 41' ' ' LEU . 1.2 mp -71.47 -72.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.58 HD11 ' CE1' ' A' ' 79' ' ' TYR . 12.1 tp -41.89 -35.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.69 -48.85 81.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.425 1.078 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -96.2 22.01 8.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 110.335 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.555 HD23 ' CD2' ' A' ' 79' ' ' TYR . 16.3 tp -109.76 -25.61 10.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.603 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -53.99 -45.07 99.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.01 -40.39 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.569 1.826 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.803 ' HA ' HG22 ' A' ' 70' ' ' THR . 1.9 m -68.65 -11.8 60.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.951 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.4 mt -70.98 -43.87 67.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -74.36 -7.09 51.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.803 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.78 -5.46 10.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.384 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.769 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -80.69 -98.53 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.587 1.18 . . . . 0.0 111.013 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 16.3 p 167.84 -176.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.72 -40.95 96.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.34 -47.06 58.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.769 HD13 ' CA ' ' A' ' 71' ' ' GLY . 6.9 tt -60.9 -34.37 74.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.332 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.541 ' HA ' HD22 ' A' ' 68' ' ' LEU . 54.3 ttm-85 -61.34 -42.51 98.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -62.92 -30.56 71.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -65.61 -47.36 75.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.951 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.9 t80 -58.69 -43.42 89.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -58.35 -32.24 68.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.617 HG21 ' HB2' ' A' ' 37' ' ' ALA . 24.1 m -64.78 -48.12 75.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.547 HG23 ' HB2' ' A' ' 57' ' ' CYS . 5.4 mt -68.37 -37.64 78.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.986 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -55.23 -57.44 11.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.547 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.7 t -57.97 -41.05 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.853 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.74 -36.71 70.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -61.4 -51.5 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.468 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 0.5 OUTLIER -58.67 -34.45 71.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 108.263 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 t -64.53 -39.38 85.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 54' ' ' SER . 29.7 m170 -56.79 -40.11 75.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.548 ' O ' ' HG2' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -96.43 11.89 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 44.95 42.54 6.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 110.386 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.546 HD11 ' CB ' ' A' ' 90' ' ' GLN . 3.1 mt -74.24 141.51 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.79 106.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.581 HG23 HG13 ' A' ' 19' ' ' ILE . 28.2 m -128.93 174.15 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.92 -49.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.67 170.75 13.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.52 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.4 m -60.05 -45.99 91.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.16 -31.64 63.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.29 -36.58 79.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.366 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.832 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -71.03 -39.27 72.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 2.4 mm? -56.44 -47.67 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -72.53 -41.78 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -62.71 -62.45 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.986 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.6 pt -56.39 -27.95 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.338 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.555 HG12 HG21 ' A' ' 151' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.89 160.67 52.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.29 13.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -65.08 -37.33 87.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.555 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -69.6 -38.44 77.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.381 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 156' ' ' VAL . 19.1 mt -57.59 -43.23 84.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -67.33 -30.85 70.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -68.95 -49.2 60.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.572 ' CD1' ' HG3' ' A' ' 187' ' ' MET . 35.5 t-105 -62.42 -46.84 86.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 108.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 152' ' ' LEU . 53.8 t -46.68 -41.69 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -69.24 -33.65 73.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.226 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.83 HG11 ' SD ' ' A' ' 171' ' ' MET . 86.1 t -66.47 -45.03 90.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.748 HG11 ' N ' ' A' ' 192' ' ' GLY . 37.9 t -67.26 -46.71 83.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -67.52 -18.69 65.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.01 -40.53 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.697 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -125.16 -58.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.375 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.28 -48.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 277' ' ' TYR . 7.7 p90 -158.26 85.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.081 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.79 170.65 10.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.23 18.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -97.26 7.7 46.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.51 -34.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 3.2 mt -55.99 -46.98 99.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.2 Cg_endo -74.98 -37.03 2.22 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.83 ' SD ' HG11 ' A' ' 158' ' ' VAL . 0.1 OUTLIER -62.61 -30.15 71.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.823 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 3.5 t80 -69.17 -44.46 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.9 p -59.78 -36.61 77.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.85 92.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.363 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.539 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.2 -9.99 59.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.679 ' OG ' HD21 ' A' ' 184' ' ' LEU . 3.2 t -108.5 14.27 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.064 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 176' ' ' SER . 0.2 OUTLIER -37.88 107.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.99 71.22 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.95 -177.72 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.929 HG21 HD11 ' A' ' 247' ' ' ILE . 0.6 OUTLIER -115.85 -172.92 0.23 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -41.34 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -70.21 -40.38 74.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.71 -49.44 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.679 HD21 ' OG ' ' A' ' 176' ' ' SER . 63.3 mt -66.7 -32.37 73.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . 0.478 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 3.3 m-20 -63.41 -32.62 74.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.823 HG23 HD11 ' A' ' 152' ' ' LEU . 0.6 OUTLIER -69.6 -45.43 68.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.453 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.572 ' HG3' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -66.87 -43.44 83.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.042 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.728 HD22 ' HE1' ' A' ' 198' ' ' MET . 10.9 mt -81.73 -4.99 57.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 1.9 m-20 -77.69 -49.87 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.555 HG23 ' N ' ' A' ' 191' ' ' VAL . 6.8 t -79.89 -58.09 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.77 HG13 ' N ' ' A' ' 192' ' ' GLY . 0.3 OUTLIER 38.57 -161.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.77 ' N ' HG13 ' A' ' 191' ' ' VAL . . . 173.77 37.84 0.04 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.55 1.156 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -115.94 25.66 9.32 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.505 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 5.3 m170 87.51 145.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 0.787 . . . . 0.0 109.579 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.35 -37.15 77.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.04 76.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -58.92 -49.5 77.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.728 ' HE1' HD22 ' A' ' 188' ' ' LEU . 1.1 mmt -58.07 -36.79 73.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -62.62 -53.86 48.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 42.3 mtm -58.77 -29.5 66.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.848 HD12 ' HA3' ' A' ' 269' ' ' GLY . 10.7 tp -63.05 -43.0 99.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.364 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 12.7 tttt -68.51 -28.85 67.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.2 tt0 -67.09 -45.11 78.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -49.35 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.931 HD11 ' HA ' ' A' ' 266' ' ' ILE . 18.4 mt -59.61 -55.4 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 57.6 t-20 -58.32 -36.25 73.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 1.7 tt0 -65.27 -29.74 70.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.398 1.062 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -31.3 69.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.623 ' HB2' ' HA3' ' A' ' 233' ' ' GLY . . . -69.1 -49.68 54.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.25 -48.08 74.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -66.77 -36.81 83.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . 0.761 ' CE3' HD11 ' A' ' 215' ' ' LEU . 45.3 t-105 -59.09 -63.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 107.969 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -55.92 -33.01 64.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.384 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 14.4 ttt85 -61.82 -29.45 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . 0.761 HD11 ' CE3' ' A' ' 212' ' ' TRP . 2.6 pp . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . 0.425 ' CB ' ' CB ' ' A' ' 235' ' ' ASP . 18.2 Cg_endo -75.03 129.1 12.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.85 -147.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.623 ' HA3' ' HB2' ' A' ' 209' ' ' ALA . . . -71.71 -38.06 61.23 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.59 1.181 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . 0.413 ' O ' ' HB ' ' A' ' 239' ' ' THR . 58.0 m -60.2 -45.6 92.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . 0.425 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.0 OUTLIER -74.55 -47.77 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.712 HG12 HG22 ' A' ' 258' ' ' VAL . 89.3 mt -61.85 -14.13 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 233' ' ' GLY . . . -96.84 -0.82 47.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 1.075 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 71.47 19.72 77.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.413 1.071 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 234' ' ' SER . 0.8 OUTLIER -90.45 -37.65 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.45 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 240' ' ' THR . 16.4 m -102.6 0.11 32.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 1.1 m -140.49 155.05 46.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . 0.467 ' CG2' ' HG3' ' A' ' 244' ' ' GLN . 0.7 OUTLIER -79.26 176.49 9.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.75 ' CD1' HD13 ' A' ' 247' ' ' ILE . 3.2 tm? -62.64 -59.43 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . 0.467 ' HG3' ' CG2' ' A' ' 242' ' ' THR . 1.7 pt20 -58.47 -20.77 48.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . 0.44 ' HB2' HG22 ' A' ' 242' ' ' THR . 5.4 mt-10 -70.81 -48.92 51.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.284 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . 0.517 ' CD ' ' CG1' ' A' ' 258' ' ' VAL . 1.8 tt0 -69.57 -56.05 8.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.24 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.929 HD11 HG21 ' A' ' 180' ' ' THR . 0.9 OUTLIER -51.1 -39.38 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.46 -51.57 57.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.08 -32.63 74.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.0 mtm -57.59 -33.44 68.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 251' ' ' THR . 30.6 m -118.25 22.58 12.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.575 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 53.4 t60 -75.87 170.65 15.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.575 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 7.9 m-80 -120.04 111.26 35.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.386 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.2 Cg_endo -75.09 159.54 97.78 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.965 0.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.497 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.99 120.04 5.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 4.9 mt -97.79 131.89 25.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.582 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.3 Cg_endo -74.98 54.66 3.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.712 HG22 HG12 ' A' ' 236' ' ' ILE . 1.5 t -64.4 -59.09 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.227 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . 0.431 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -60.92 -41.7 99.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -32.0 72.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.734 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 4.2 mt -65.78 -38.66 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . 0.452 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 4.7 t80 -63.79 -45.63 88.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -57.08 -34.93 68.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 14.9 mtt180 -68.64 -40.5 80.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.734 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 50.1 m0 -61.83 -44.18 97.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.029 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.931 ' HA ' HD11 ' A' ' 205' ' ' ILE . 77.7 mt -57.41 -45.57 85.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -31.04 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -53.61 52.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.848 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -61.78 -54.59 34.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.759 HD11 HG22 ' A' ' 266' ' ' ILE . 11.6 mt -48.03 -33.26 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . 0.538 ' HA ' HD11 ' A' ' 169' ' ' ILE . 46.5 t30 -63.29 -45.02 93.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -37.53 77.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 0.803 ' CD1' HD13 ' A' ' 201' ' ' LEU . 85.7 mt -62.75 -43.8 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 270' ' ' LEU . 75.6 t -72.28 -38.36 61.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -16.2 62.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -37.91 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 0.562 ' HB3' ' CD2' ' A' ' 164' ' ' PHE . 2.1 m-85 -101.54 15.29 29.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.37 114.15 35.38 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.035 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.046 HG11 HG21 ' A' ' 34' ' ' ILE . 24.6 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.608 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.5 mt -105.31 147.02 28.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.5 179.36 7.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 109.997 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.06 -58.4 14.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.41 -40.4 33.2 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.862 ' OE1' HG12 ' A' ' 88' ' ' VAL . 4.1 mm-40 -61.07 -34.98 75.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.847 HD21 HD21 ' A' ' 31' ' ' LEU . 3.3 tp -69.74 -39.83 76.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -56.05 -32.31 63.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.935 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.2 mptt -73.94 -45.85 47.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.89 ' CE3' HD12 ' A' ' 85' ' ' LEU . 53.9 t-105 -58.53 -42.45 87.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.042 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.17 -14.28 60.93 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -90.13 33.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.935 HD12 ' O ' ' A' ' 15' ' ' LYS . 1.7 mp -142.55 140.41 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.516 0.198 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.56 175.16 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.066 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.847 HD21 HD21 ' A' ' 13' ' ' LEU . 2.1 mm? -61.42 -29.23 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.538 ' HD2' ' CD2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -61.94 -40.04 94.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.538 ' CD2' ' HD2' ' A' ' 32' ' ' LYS . 59.5 m-70 -66.83 -35.99 81.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.605 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.046 HG21 HG11 ' A' ' 7' ' ' VAL . 6.4 mt -64.78 -49.94 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.09 -43.32 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 108.031 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.639 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.35 -51.01 71.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.762 ' HA ' HD12 ' A' ' 41' ' ' LEU . 3.7 p -58.44 -35.08 71.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -41.04 95.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.435 ' CB ' ' HG ' ' A' ' 78' ' ' LEU . 33.5 mm-40 -63.5 -34.75 78.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.871 ' O ' HG12 ' A' ' 46' ' ' VAL . 20.9 mt -63.96 -31.69 72.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -69.08 -42.31 76.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -64.31 -23.17 67.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -86.38 -10.96 53.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 73.76 45.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.871 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.5 p -125.01 149.92 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.6 135.69 96.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.358 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -18.74 18.35 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.598 1.841 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.44 -14.31 48.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.529 HD12 HG22 ' A' ' 46' ' ' VAL . 23.3 mt -74.82 -31.73 61.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD1' ' CD2' ' A' ' 85' ' ' LEU . 6.7 tp -78.07 -2.26 36.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -91.99 -22.11 20.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.8 154.86 41.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.363 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.09 -29.43 66.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.99 -49.48 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.694 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -64.19 -41.63 98.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.57 1.169 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.744 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.8 OUTLIER -63.87 -35.94 82.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -59.9 -40.16 87.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.17 -30.78 68.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.694 HD12 ' O ' ' A' ' 56' ' ' GLY . 1.0 OUTLIER -72.93 -73.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.069 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.61 ' N ' HG22 ' A' ' 60' ' ' ILE . 11.6 tp -43.62 -35.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.39 -49.05 77.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.86 19.99 8.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.338 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.5 HD23 ' CD2' ' A' ' 79' ' ' TYR . 19.8 tp -109.37 -24.86 10.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.602 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -53.76 -45.04 98.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.229 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.87 -40.61 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.803 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.33 -11.83 60.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.566 1.166 . . . . 0.0 109.968 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.952 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.2 mt -70.78 -44.16 67.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.2 -7.32 52.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.803 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.34 -5.91 10.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.675 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -80.7 -97.98 0.36 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.591 1.182 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.455 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 23.3 p 167.56 -176.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 0.759 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -61.38 -40.71 95.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -47.07 59.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.675 HD13 ' CA ' ' A' ' 71' ' ' GLY . 8.0 tt -60.77 -34.51 74.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.525 ' HA ' HD22 ' A' ' 68' ' ' LEU . 6.4 tpt180 -61.08 -44.66 97.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -60.82 -30.75 70.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -66.07 -47.35 74.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.952 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.3 t80 -58.16 -41.62 84.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -60.5 -35.22 75.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 37' ' ' ALA . 61.0 m -62.41 -45.53 92.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.431 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.744 HG23 ' SG ' ' A' ' 57' ' ' CYS . 9.3 mt -72.02 -34.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.948 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -55.83 -60.07 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.602 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.5 t -58.59 -39.68 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.89 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.64 -39.88 74.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 44.9 t80 -59.92 -53.12 61.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.407 ' SG ' HD13 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -58.29 -36.19 72.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.356 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.862 HG12 ' OE1' ' A' ' 12' ' ' GLU . 4.4 t -62.04 -41.24 90.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.24 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -55.91 -40.21 72.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.578 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.556 ' CB ' HD12 ' A' ' 92' ' ' ILE . 0.6 OUTLIER -85.72 -20.09 29.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 78.98 41.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.679 HG22 HG13 ' A' ' 94' ' ' VAL . 1.3 mp -75.93 141.08 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -70.57 97.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.679 HG13 HG22 ' A' ' 92' ' ' ILE . 29.8 m -118.32 173.61 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.13 -45.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -132.82 170.92 14.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.513 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.2 m -60.16 -44.9 94.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' N ' ' OD2' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -55.26 -32.05 62.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -41.33 80.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.804 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -67.93 -37.86 82.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 0.8 OUTLIER -56.55 -46.2 80.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.68 -42.53 64.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -62.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.948 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.6 pt -56.04 -28.07 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.251 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.586 HG12 HG21 ' A' ' 151' ' ' THR . 1.3 tt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.1 160.76 51.36 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.053 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.28 14.03 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.504 1.792 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -65.64 -37.4 86.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.651 ' OG1' HD21 ' A' ' 175' ' ' LEU . 0.6 OUTLIER -66.1 -40.83 91.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.953 ' O ' HG23 ' A' ' 156' ' ' VAL . 19.2 mt -58.76 -40.58 84.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.11 -41.86 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.01 79.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 109.337 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 172' ' ' PHE . 40.5 t-105 -62.01 -46.49 88.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 152' ' ' LEU . 40.3 t -45.25 -43.14 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -66.06 -37.84 86.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 155' ' ' TRP . 67.9 t -63.35 -44.53 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.709 HG13 ' HB2' ' A' ' 163' ' ' ALA . 90.1 t -56.32 -46.6 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.86 -24.65 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.246 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.99 -52.8 10.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 1.018 ' O ' HG21 ' A' ' 168' ' ' VAL . 5.5 mttt -173.06 66.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.331 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.709 ' HB2' HG13 ' A' ' 159' ' ' VAL . . . -33.29 -45.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.506 ' CD1' ' CE2' ' A' ' 277' ' ' TYR . 1.3 p90 -117.95 126.41 52.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.491 ' HB2' ' HD2' ' A' ' 166' ' ' PRO . 4.0 p 178.69 170.35 0.51 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.945 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.2 Cg_endo -74.98 -36.11 2.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -88.92 9.28 25.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 1.018 HG21 ' O ' ' A' ' 162' ' ' LYS . 2.2 t -105.78 -34.28 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.642 HD11 ' C ' ' A' ' 270' ' ' LEU . 0.0 OUTLIER -54.95 -45.43 99.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.08 -34.21 3.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -51.05 69.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.557 ' HB2' ' CH2' ' A' ' 155' ' ' TRP . 13.3 t80 -61.55 -44.22 97.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . 0.626 ' HB3' HD11 ' A' ' 267' ' ' ILE . 11.1 p -58.54 -33.21 69.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.59 92.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.651 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -75.99 -10.17 59.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.933 ' OG ' HD21 ' A' ' 184' ' ' LEU . 3.0 t -106.97 14.26 26.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 176' ' ' SER . 4.3 mt-10 -37.62 109.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.313 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.6 66.85 0.52 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.85 -176.05 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.937 HG21 HD11 ' A' ' 247' ' ' ILE . 1.7 p -108.55 -176.55 0.41 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.4 Cg_endo -74.96 -42.44 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.457 1.767 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -49.55 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.257 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.45 ' OD2' HD12 ' A' ' 147' ' ' ILE . 0.0 OUTLIER -58.5 -49.11 78.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.933 HD21 ' OG ' ' A' ' 176' ' ' SER . 40.3 mt -61.91 -43.2 99.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -57.17 -35.33 69.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.856 HG23 HD11 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -62.43 -44.33 96.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.597 1.186 . . . . 0.0 110.357 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.528 ' O ' HG22 ' A' ' 190' ' ' THR . 0.3 OUTLIER -69.7 -45.5 68.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.426 HD11 HG12 ' A' ' 266' ' ' ILE . 13.5 mt -64.04 -28.91 70.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.02 -39.94 78.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 187' ' ' MET . 5.4 t -84.31 -2.56 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.557 HG11 ' HE3' ' A' ' 198' ' ' MET . 0.7 OUTLIER -52.18 -176.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.709 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -169.89 55.55 0.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.095 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . 0.538 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -115.02 32.61 5.71 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.405 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 4.2 t-160 81.35 133.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 0.0 109.572 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.72 -37.96 74.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 110.368 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.48 75.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.08 -49.9 76.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.561 ' HE1' HD23 ' A' ' 201' ' ' LEU . 1.0 OUTLIER -57.93 -33.43 68.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -69.06 -54.46 14.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.3 mtp -59.86 -29.68 68.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.575 HD13 ' HA3' ' A' ' 269' ' ' GLY . 16.2 tp -65.18 -42.6 93.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -63.46 -29.52 70.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 3.8 tt0 -66.91 -46.45 74.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.203 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.71 -49.04 51.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.349 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.63 HD11 ' HA ' ' A' ' 266' ' ' ILE . 16.2 mt -58.24 -55.48 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.585 1.178 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -57.88 -38.02 75.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 19.4 mt-10 -66.16 -29.73 70.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . 0.538 ' HG2' ' CD1' ' A' ' 265' ' ' TRP . 0.4 OUTLIER -64.53 -44.81 89.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.508 ' HB1' ' HA3' ' A' ' 233' ' ' GLY . . . -61.54 -50.01 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.51 -48.0 75.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.85 -39.01 90.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . 0.588 ' CE3' HD11 ' A' ' 215' ' ' LEU . 44.4 t-105 -60.16 -59.63 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 108.017 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -56.17 -33.36 65.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -61.79 -32.67 72.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . 0.588 HD11 ' CE3' ' A' ' 212' ' ' TRP . 2.6 pp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 143.71 29.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -85.92 177.57 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.672 ' HA2' HD12 ' A' ' 236' ' ' ILE . . . -52.77 -38.55 53.79 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 6.5 m -61.41 -40.11 93.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.034 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . 0.448 ' O ' ' NE2' ' A' ' 246' ' ' GLN . 1.4 m-20 -65.73 -36.55 83.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.672 HD12 ' HA2' ' A' ' 233' ' ' GLY . 4.0 mt -60.42 -30.01 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.48 -22.98 61.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 90.62 23.49 30.82 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.23 -38.23 15.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 15.4 m -105.83 -0.8 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.432 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 5.8 t -138.8 136.81 36.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.23 172.52 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.365 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.674 HD13 HG12 ' A' ' 247' ' ' ILE . 3.0 tm? -65.64 -59.15 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -49.29 -24.92 2.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 110.35 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.46 -49.4 48.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.067 . . . . 0.0 110.278 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 235' ' ' ASP . 55.0 mt-30 -69.91 -37.6 76.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.937 HD11 HG21 ' A' ' 180' ' ' THR . 33.3 mm -52.54 -57.3 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.73 -45.48 96.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . 0.45 ' CD1' HD13 ' A' ' 256' ' ' ILE . 0.4 OUTLIER -56.21 -31.47 63.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.98 -41.05 87.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 251' ' ' THR . 30.3 m -106.91 22.11 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.36 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 255' ' ' PRO . 81.9 t60 -86.28 170.2 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.554 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.456 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 40.3 m-80 -121.22 111.52 33.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.7 Cg_endo -74.94 159.34 98.14 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.032 -0.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.11 121.69 6.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.407 1.74 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . 0.45 HD13 ' CD1' ' A' ' 249' ' ' TRP . 4.6 mt -95.71 111.36 55.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 54.66 3.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.604 1.844 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.858 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.3 OUTLIER -58.19 -41.66 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -62.23 -42.71 99.72 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.34 -32.36 73.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.858 HD12 ' HA ' ' A' ' 258' ' ' VAL . 8.2 mt -63.61 -45.72 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . 0.629 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 8.5 t80 -71.42 -39.75 70.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.524 ' HE3' HD13 ' A' ' 267' ' ' ILE . 0.0 OUTLIER -58.46 -44.9 89.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -32.07 73.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.562 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 50.8 m0 -61.96 -47.76 83.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 107.962 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.877 HG22 HD11 ' A' ' 270' ' ' LEU . 54.4 mt -57.52 -48.24 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 173' ' ' SER . 0.8 OUTLIER -60.15 -35.48 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . 0.465 HD22 ' OE2' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -58.72 -54.26 49.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.575 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.65 -60.51 7.67 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.509 1.131 . . . . 0.0 111.049 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.877 HD11 HG22 ' A' ' 266' ' ' ILE . 11.8 mt -42.04 -31.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -69.25 -47.03 65.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.37 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 269' ' ' GLY . 21.1 mttt -65.02 -36.58 84.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 0.533 HD11 ' HB2' ' A' ' 201' ' ' LEU . 15.4 mt -72.52 -33.35 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 270' ' ' LEU . 19.0 t -68.95 -47.4 75.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . 0.446 ' CD ' ' HA ' ' A' ' 272' ' ' LYS . 8.6 ptt85 -73.04 -16.01 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -35.17 16.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 0.515 ' O ' ' CG ' ' A' ' 277' ' ' TYR . 6.4 t80 -94.49 1.87 55.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 3.8 p -81.16 114.28 47.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.958 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.02 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.954 HG11 HG21 ' A' ' 34' ' ' ILE . 3.0 t . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.624 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.8 mt -101.76 150.71 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -86.27 179.68 6.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.7 -57.47 19.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.07 27.86 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.4 ' OE1' HG12 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -59.41 -38.89 81.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 0.726 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.523 ' CD1' HD13 ' A' ' 31' ' ' LEU . 8.7 tp -67.35 -41.61 84.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.82 -31.78 62.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.846 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -77.11 -44.14 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.816 ' CE3' HD12 ' A' ' 85' ' ' LEU . 45.0 t-105 -56.58 -62.41 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -51.77 -30.02 21.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -50.12 75.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.846 HD12 ' O ' ' A' ' 15' ' ' LYS . 2.1 mp -47.7 133.13 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.695 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.519 0.2 . . . . 0.0 110.985 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -143.3 171.93 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.523 HD13 ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -62.51 -27.18 68.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -46.11 90.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -63.02 -35.79 81.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.54 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.954 HG21 HG11 ' A' ' 7' ' ' VAL . 3.7 mt -63.12 -50.07 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.49 -42.27 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -62.32 -40.27 95.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 108.024 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.657 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.69 -52.18 66.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.524 ' HA ' HD12 ' A' ' 41' ' ' LEU . 5.4 p -57.81 -35.15 70.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -60.97 -40.09 92.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 3.3 mm-40 -63.63 -34.44 77.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.761 ' O ' HG12 ' A' ' 46' ' ' VAL . 18.8 mt -70.44 -31.94 69.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -71.34 -42.87 67.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -76.57 -16.73 59.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.224 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -82.41 -6.6 59.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 74.36 34.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.761 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.2 p -124.96 149.78 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -64.74 133.91 95.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -19.04 18.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.03 -13.49 48.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.435 HD12 HG22 ' A' ' 46' ' ' VAL . 20.2 mt -76.16 -23.48 54.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 0.721 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.52 ' CD1' ' CD2' ' A' ' 85' ' ' LEU . 6.9 tp -85.47 -2.27 57.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -90.45 -22.24 21.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -126.0 158.44 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.445 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 p -70.13 -31.43 68.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -63.56 -47.3 82.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -64.44 -40.45 97.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.22 -37.9 89.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -43.25 95.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.67 -34.81 77.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.693 HG12 HD22 ' A' ' 41' ' ' LEU . 1.2 mp -73.27 -74.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.581 ' N ' HG22 ' A' ' 60' ' ' ILE . 11.8 tp -41.69 -37.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.44 -48.73 84.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' ILE . 10.3 mt-30 -96.3 21.95 8.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 0.72 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.543 HD23 ' CD2' ' A' ' 79' ' ' TYR . 16.6 tp -108.9 -26.04 10.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.607 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.6 tm0? -53.56 -45.14 98.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.06 -40.1 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.838 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.8 m -68.67 -12.33 61.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.939 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.8 mt -70.74 -43.68 68.36 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -74.63 -6.92 51.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.464 1.103 . . . . 0.0 110.364 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.838 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.93 -5.05 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.66 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.74 -99.46 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.56 1.163 . . . . 0.0 111.068 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.0 p 168.98 -176.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.994 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -61.24 -41.2 96.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.43 -46.94 58.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.66 HD13 ' CA ' ' A' ' 71' ' ' GLY . 5.1 tt -60.41 -34.11 73.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.545 ' HA ' HD22 ' A' ' 68' ' ' LEU . 2.8 tpt180 -61.76 -42.62 99.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 13.9 t -62.05 -30.96 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -65.3 -47.03 78.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.939 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.0 t80 -59.21 -42.24 90.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.455 ' HB2' ' CG2' ' A' ' 97' ' ' THR . 0.0 OUTLIER -60.13 -29.12 68.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.525 HG21 ' HB2' ' A' ' 37' ' ' ALA . 24.3 m -68.59 -48.0 65.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.142 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.462 HD13 HG21 ' A' ' 60' ' ' ILE . 6.5 mt -68.48 -35.85 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 1.023 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -56.31 -58.87 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.499 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.6 t -58.52 -41.38 81.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.816 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.6 -38.91 72.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.433 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 34.7 t80 -61.96 -42.48 99.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.569 ' HA ' HD13 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -68.18 -39.02 82.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.4 HG12 ' OE1' ' A' ' 12' ' ' GLU . 4.1 t -62.11 -42.75 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.502 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 7.7 m-70 -56.09 -40.04 73.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.496 ' HB2' HD12 ' A' ' 92' ' ' ILE . 2.4 mm-40 -87.16 -19.55 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.1 OUTLIER 79.67 40.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.663 HG22 HG13 ' A' ' 94' ' ' VAL . 1.7 mp -75.96 141.03 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.82 101.35 0.64 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.663 HG13 HG22 ' A' ' 92' ' ' ILE . 27.0 m -135.88 154.8 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.12 23.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 178.78 157.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.499 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.8 m -60.43 -34.87 74.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -31.4 70.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -42.78 96.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -70.24 -39.74 74.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.742 HD12 HD11 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -53.92 -46.79 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -73.9 -41.72 61.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.46 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.54 -63.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.023 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -54.76 -27.67 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.829 HD12 ' OD1' ' A' ' 183' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.49 162.26 45.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -24.43 12.74 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -41.13 93.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.613 HG21 HG12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -72.17 -35.65 69.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.416 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.851 HD11 HG21 ' A' ' 186' ' ' THR . 29.4 mt -66.51 -32.92 74.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.71 -47.53 62.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.52 76.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.658 ' HZ2' HG23 ' A' ' 191' ' ' VAL . 1.8 t90 -61.96 -49.03 77.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 152' ' ' LEU . 3.5 t -45.14 -44.16 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -35.05 76.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.596 1.185 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.635 HG21 ' CE ' ' A' ' 171' ' ' MET . 98.2 t -71.09 -45.7 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.519 HG23 ' NE1' ' A' ' 155' ' ' TRP . 2.6 t -55.12 -33.68 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -78.44 -39.22 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -85.63 12.22 9.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.719 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -154.26 -77.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.87 -48.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 197' ' ' ALA . 4.0 m-85 -165.88 76.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.419 ' O ' HG12 ' A' ' 168' ' ' VAL . 0.7 OUTLIER -127.23 170.61 9.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -19.22 18.28 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.17 -1.57 56.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.583 1.177 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 165' ' ' SER . 0.4 OUTLIER -102.08 -34.21 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.606 HD11 ' C ' ' A' ' 270' ' ' LEU . 3.3 mt -53.55 -47.72 95.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.97 -35.88 2.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.586 1.835 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.635 ' CE ' HG21 ' A' ' 158' ' ' VAL . 0.0 OUTLIER -62.08 -34.35 76.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.969 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.599 ' CD2' ' SD ' ' A' ' 187' ' ' MET . 1.2 t80 -66.81 -43.18 84.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . 0.573 ' HB3' HD11 ' A' ' 267' ' ' ILE . 9.9 p -58.31 -39.99 80.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.42 93.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -75.83 -10.61 59.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.828 ' OG ' HD21 ' A' ' 184' ' ' LEU . 3.2 t -106.63 14.07 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 178' ' ' GLY . 41.3 tt0 -40.09 105.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.17 67.69 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . 0.735 ' HB1' ' OD2' ' A' ' 183' ' ' ASP . . . -103.91 -175.46 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.918 HG21 HD11 ' A' ' 247' ' ' ILE . 1.0 OUTLIER -112.12 -175.23 0.31 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 110.407 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.05 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -34.33 72.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.829 ' OD1' HD12 ' A' ' 147' ' ' ILE . 4.0 t0 -77.63 -49.91 13.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.828 HD21 ' OG ' ' A' ' 176' ' ' SER . 35.7 mt -64.12 -32.44 74.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 181' ' ' PRO . 4.3 t-20 -65.6 -38.79 90.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.851 HG21 HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -60.55 -42.71 97.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.602 ' O ' ' CZ2' ' A' ' 155' ' ' TRP . 7.2 ttm -67.81 -46.38 72.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.523 HD22 ' CE ' ' A' ' 198' ' ' MET . 9.7 mt -81.69 7.5 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 5.0 t30 -100.58 -49.5 4.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 191' ' ' VAL . 3.3 t -98.64 10.76 40.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.373 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.794 HG11 ' CE ' ' A' ' 198' ' ' MET . 1.3 p -51.11 -175.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.608 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -162.17 83.78 0.12 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 111.071 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . 0.561 ' HA2' ' HB1' ' A' ' 163' ' ' ALA . . . -134.03 -62.13 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 0.2 OUTLIER 169.31 133.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.557 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -57.44 -42.48 82.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.95 -48.99 77.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . 0.609 ' HB1' ' CG2' ' A' ' 273' ' ' ILE . . . -59.94 -49.17 78.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.794 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.93 -33.55 68.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -48.97 79.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -41.58 96.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.92 ' HB2' HD11 ' A' ' 273' ' ' ILE . 16.0 tp -57.95 -42.75 85.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 7.0 tttp -68.07 -29.65 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 3.8 tt0 -67.27 -45.03 77.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.06 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.5 -49.01 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.973 HD11 ' HA ' ' A' ' 266' ' ' ILE . 16.7 mt -59.45 -55.66 22.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.241 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 23.3 t-20 -58.64 -34.66 71.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 3.5 tt0 -65.7 -31.58 72.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.53 -36.94 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.517 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -73.73 -48.62 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.2 -47.67 74.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.31 -33.81 74.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . 0.802 ' CZ3' HD11 ' A' ' 215' ' ' LEU . 0.0 OUTLIER -57.3 -64.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.13 -33.07 70.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -58.9 -33.62 70.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.258 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . 0.802 HD11 ' CZ3' ' A' ' 212' ' ' TRP . 1.9 pp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . 0.406 ' HB3' ' NH1' ' A' ' 232' ' ' ARG . 28.0 mt-10 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . 0.474 ' O ' ' CZ ' ' A' ' 232' ' ' ARG . 18.2 Cg_endo -75.01 107.05 2.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.442 1.759 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . 0.474 ' CZ ' ' O ' ' A' ' 231' ' ' PRO . 0.0 OUTLIER -117.28 146.37 43.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.517 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -36.97 -38.25 0.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 2.5 p -60.28 -51.77 68.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 109.918 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 241' ' ' SER . 1.9 t70 -65.6 -37.35 86.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.07 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.722 HD13 HG21 ' A' ' 261' ' ' ILE . 26.2 mt -60.29 -26.62 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -85.73 -15.88 40.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 68.84 32.32 73.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.25 -38.28 13.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 5.0 t -109.54 -2.32 17.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . 0.472 ' CB ' ' OD1' ' A' ' 235' ' ' ASP . 1.9 t -126.41 145.9 50.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.966 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 245' ' ' GLU . 0.4 OUTLIER -81.77 160.27 23.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.606 HD13 ' CG1' ' A' ' 247' ' ' ILE . 2.9 tm? -55.88 -61.11 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -44.5 -27.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . 0.448 ' H ' HG22 ' A' ' 242' ' ' THR . 0.5 OUTLIER -69.69 -49.66 51.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -67.34 -42.65 83.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.918 HD11 HG21 ' A' ' 180' ' ' THR . 45.0 mm -48.0 -56.86 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -59.72 -41.18 97.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . 0.414 ' CE3' ' HA ' ' A' ' 249' ' ' TRP . 0.1 OUTLIER -58.74 -31.61 68.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.4 tpp -68.14 -39.17 82.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.8 p -108.36 22.4 15.98 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 82.0 t60 -85.27 169.5 13.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.647 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.495 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 9.3 t-20 -120.35 111.41 35.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.98 159.83 97.44 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.011 -0.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.481 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.5 Cg_endo -75.04 119.88 5.83 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.56 114.2 61.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 56.34 4.26 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.477 ' CG2' HG12 ' A' ' 236' ' ' ILE . 0.4 OUTLIER -54.98 -43.66 70.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -60.51 -41.33 98.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.58 -38.85 77.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.722 HG21 HD13 ' A' ' 236' ' ' ILE . 18.8 mt -64.22 -46.09 94.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.162 . . . . 0.0 109.352 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -47.28 73.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.464 ' CE ' ' HB2' ' A' ' 173' ' ' SER . 0.8 OUTLIER -56.7 -45.92 81.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -61.16 -40.0 92.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 261' ' ' ILE . 40.5 m0 -62.14 -47.44 84.57 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.973 ' HA ' HD11 ' A' ' 205' ' ' ILE . 94.3 mt -57.62 -46.67 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.573 HD11 ' HB3' ' A' ' 173' ' ' SER . 0.2 OUTLIER -59.61 -32.57 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -56.53 21.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.71 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -61.98 -56.94 19.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.838 HD11 HG22 ' A' ' 266' ' ' ILE . 12.5 mt -46.33 -33.27 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 0.797 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . 0.435 ' HA ' ' CD1' ' A' ' 169' ' ' ILE . 1.3 m-20 -63.74 -45.74 88.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -68.9 -37.46 79.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.229 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . 0.92 HD11 ' HB2' ' A' ' 201' ' ' LEU . 47.6 mt -59.72 -46.22 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 270' ' ' LEU . 77.0 t -69.07 -45.99 79.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -58.28 -16.33 13.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 4.5 tpt -95.62 -37.89 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 0.535 ' O ' ' CG ' ' A' ' 277' ' ' TYR . 15.6 t80 -95.44 18.19 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.0 150.19 92.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.07 HG11 HG21 ' A' ' 34' ' ' ILE . 30.3 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.861 HD21 HD12 ' A' ' 85' ' ' LEU . 11.2 mt -102.48 155.46 18.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.04 179.75 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.88 -57.67 18.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.35 -40.55 23.4 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.04 -39.38 81.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.783 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.567 HD11 HD13 ' A' ' 31' ' ' LEU . 5.7 tp -69.77 -36.05 75.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.29 -33.15 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.417 ' O ' HG12 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -76.29 -45.46 32.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.707 ' CZ3' HD22 ' A' ' 85' ' ' LEU . 17.9 t-105 -56.59 -50.65 71.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 107.995 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.01 -21.76 66.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -2.41 28.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.518 ' CD1' HG23 ' A' ' 94' ' ' VAL . 1.6 mm -84.71 145.34 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.699 ' CD2' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.6 0.238 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HG2' ' CD2' ' A' ' 33' ' ' HIS . 0.6 OUTLIER -140.71 174.59 10.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.567 HD13 HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.67 -27.84 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -45.59 93.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 10.9 m170 -63.73 -35.95 82.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.621 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.07 HG21 HG11 ' A' ' 7' ' ' VAL . 4.3 mt -63.27 -50.34 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.429 HG13 ' NH1' ' A' ' 39' ' ' ARG . 2.4 t -51.76 -41.94 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.1 . . . . 0.0 109.27 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -62.17 -42.61 99.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 0.0 108.019 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.08 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.19 -53.13 61.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.561 ' OG ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -59.78 -35.32 74.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.429 ' NH1' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -60.9 -41.19 95.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.49 -35.04 79.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 95.5 mt -67.79 -41.53 83.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.83 -35.41 68.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -75.73 -25.58 56.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.606 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 31.0 t80 -75.95 -6.07 49.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 77.69 30.98 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 1.3 p -123.77 150.3 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -63.72 131.13 94.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -18.79 18.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.45 -10.17 56.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.828 HD12 HD11 ' A' ' 60' ' ' ILE . 23.8 mt -75.52 -26.3 57.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.747 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.562 HD13 HG22 ' A' ' 82' ' ' ILE . 11.8 tp -78.82 -10.14 59.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -83.25 -22.03 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.2 p -125.87 153.55 43.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.52 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -69.99 -29.03 66.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -49.94 67.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.425 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -69.75 -38.61 76.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.576 1.172 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 46.8 t -64.06 -39.69 94.63 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -59.9 -39.58 85.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -62.89 -43.43 98.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.828 HD11 HD12 ' A' ' 50' ' ' LEU . 1.2 mp -68.85 -70.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' N ' HG22 ' A' ' 60' ' ' ILE . 12.8 tp -42.41 -37.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.92 -48.92 83.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.62 1.2 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -93.51 19.08 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 0.808 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.005 HD22 HD11 ' A' ' 82' ' ' ILE . 2.8 tp -108.45 -23.35 11.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.608 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 tm0? -54.6 -44.87 99.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.02 -39.88 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.829 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.5 OUTLIER -67.34 -11.87 58.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.932 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.6 mt -70.66 -45.01 65.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.84 -7.18 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.829 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.2 t -119.49 -6.01 10.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.749 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.34 -98.79 0.39 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 30.9 p 165.49 -176.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -58.57 -41.09 84.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -47.11 55.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.335 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.749 HD13 ' CA ' ' A' ' 71' ' ' GLY . 7.4 tt -58.77 -34.59 71.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.517 ' HA ' HD22 ' A' ' 68' ' ' LEU . 2.2 mmm180 -62.5 -46.08 90.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.0 t -56.22 -34.09 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.519 ' CD1' HD21 ' A' ' 64' ' ' LEU . 1.2 tm? -62.95 -47.37 83.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.932 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.4 t80 -61.81 -33.83 74.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.845 ' OD1' HD13 ' A' ' 101' ' ' LEU . 1.9 t-20 -70.48 -27.6 64.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 1.08 HG21 ' HB2' ' A' ' 37' ' ' ALA . 28.4 m -70.69 -49.3 48.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.005 HD11 HD22 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -69.3 -44.23 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 1.011 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -48.3 -52.19 22.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.686 HG22 ' CB ' ' A' ' 100' ' ' ALA . 6.8 t -58.62 -44.76 90.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.861 HD12 HD21 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -57.09 -34.98 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 19.1 t80 -60.54 -44.71 95.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -67.11 -32.32 73.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 108.322 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.63 -42.9 93.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.52 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 2.0 t-80 -80.26 -18.69 48.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.629 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.609 ' CG ' ' CD1' ' A' ' 92' ' ' ILE . 29.3 tp60 -84.99 -19.81 31.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 88.11 11.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.799 HG22 HG13 ' A' ' 94' ' ' VAL . 0.9 OUTLIER -75.5 141.85 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -99.3 106.06 18.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.799 HG13 HG22 ' A' ' 92' ' ' ILE . 22.5 m -115.25 173.8 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -112.84 -69.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -107.09 171.52 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.799 HG22 ' CG ' ' A' ' 80' ' ' ASN . 99.4 m -59.97 -44.3 94.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.453 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -35.47 72.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.66 -31.73 72.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.849 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -67.5 -40.75 85.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.845 HD13 ' OD1' ' A' ' 80' ' ' ASN . 1.0 OUTLIER -56.47 -46.27 80.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -72.5 -38.77 68.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.707 ' HG2' HG12 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -66.5 -62.76 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.011 HD13 ' HB1' ' A' ' 83' ' ' ALA . 3.2 pt -55.66 -27.73 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 7.2 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.543 HG12 HG21 ' A' ' 151' ' ' THR . 2.2 tt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . 0.842 ' O ' HG22 ' A' ' 151' ' ' THR . 0.0 OUTLIER -85.65 154.92 59.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.957 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.696 ' HA ' HD12 ' A' ' 152' ' ' LEU . 18.4 Cg_endo -74.95 -16.85 20.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -65.2 -38.72 91.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.996 ' OG1' HD22 ' A' ' 175' ' ' LEU . 3.3 t -73.3 -32.54 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.437 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 156' ' ' VAL . 5.8 mt -71.94 -44.19 64.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -72.35 -38.44 68.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.38 -48.86 73.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 109.219 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' TRP . . . . . 0.675 ' CZ2' HG23 ' A' ' 191' ' ' VAL . 9.8 t90 -62.12 -43.95 97.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 108.039 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 152' ' ' LEU . 7.0 t -44.79 -43.84 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -69.64 -36.42 76.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 155' ' ' TRP . 4.3 t -63.38 -37.48 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.536 HG23 ' CD1' ' A' ' 155' ' ' TRP . 59.0 t -65.88 -32.09 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -19.69 59.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -102.36 -82.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.71 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 2.9 mptt -63.45 -67.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.96 -47.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.703 ' O ' HG22 ' A' ' 274' ' ' VAL . 1.9 p90 -167.79 66.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.78 171.91 4.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -19.18 18.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.71 1.86 49.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.921 HG22 ' CE1' ' A' ' 172' ' ' PHE . 0.4 OUTLIER -102.88 -34.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.612 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 0.5 OUTLIER -55.59 -46.36 99.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.309 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.0 -33.58 4.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.402 ' C ' ' SD ' ' A' ' 171' ' ' MET . 3.1 tmm? -61.51 -44.32 97.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . 0.921 ' CE1' HG22 ' A' ' 168' ' ' VAL . 15.8 m-30 -61.93 -44.25 97.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' SER . . . . . 0.896 ' HB3' HD11 ' A' ' 267' ' ' ILE . 11.8 p -71.15 -25.79 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.96 92.62 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.996 HD22 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.25 -31.92 55.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' SER . . . . . 0.717 ' OG ' HD21 ' A' ' 184' ' ' LEU . 2.9 t -84.21 7.21 19.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.953 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -45.15 101.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 63.68 52.63 44.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -94.06 -175.35 3.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.973 HG21 HD11 ' A' ' 247' ' ' ILE . 0.7 OUTLIER -115.9 -171.22 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.425 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' PRO . . . . . 0.615 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.1 Cg_endo -75.02 -38.97 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -68.98 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.436 ' OD1' ' C ' ' A' ' 183' ' ' ASP . 0.0 OUTLIER -44.89 -40.66 6.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.717 HD21 ' OG ' ' A' ' 176' ' ' SER . 47.0 mt -70.45 -41.95 72.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -55.28 -42.84 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.616 ' CG2' HD21 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -66.45 -42.01 88.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 110.384 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' MET . . . . . 0.54 ' SD ' ' CZ3' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -61.38 -45.42 94.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.567 HD12 ' HH2' ' A' ' 155' ' ' TRP . 1.3 mp -79.61 -4.39 51.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -94.6 -18.51 21.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.527 ' HB ' HD22 ' A' ' 152' ' ' LEU . 1.5 t -97.18 -22.05 16.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.825 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -50.03 179.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . 0.438 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -172.59 52.93 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 193' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -99.03 23.11 37.76 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 1.7 t-80 90.02 131.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -57.83 -37.36 73.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.32 -49.37 74.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.17 75.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 198' ' ' MET . . . . . 0.825 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.1 -33.22 68.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -65.03 -47.88 75.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.182 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 28.2 mtm -58.86 -46.34 88.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 201' ' ' LEU . . . . . 0.702 HD13 ' HA3' ' A' ' 269' ' ' GLY . 2.3 tp -67.2 -38.68 85.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -55.98 -39.52 71.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 203' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 1.2 tt0 -66.82 -37.02 83.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.262 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -36.53 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.48 HD11 HD11 ' A' ' 201' ' ' LEU . 7.7 mt -70.02 -56.36 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.16 -42.88 86.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 31.5 tt0 -65.87 -29.66 70.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.44 -38.97 91.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.447 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -68.67 -49.09 61.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.25 -48.07 74.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.092 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.93 -36.58 82.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 212' ' ' TRP . . . . . 0.629 ' CE3' HD21 ' A' ' 215' ' ' LEU . 58.2 t-105 -58.72 -50.02 75.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.59 -33.24 66.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -59.48 -41.99 91.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 215' ' ' LEU . . . . . 0.629 HD21 ' CE3' ' A' ' 212' ' ' TRP . 2.7 pp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 230' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 231' ' ' PRO . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 231' ' ' PRO . . . . . 0.902 ' CG ' HG21 ' A' ' 256' ' ' ILE . 18.0 Cg_endo -75.11 88.17 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.759 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 232' ' ' ARG . . . . . 0.544 ' NH2' HG21 ' A' ' 240' ' ' THR . 1.3 ptt180 -86.13 -175.55 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 233' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -72.07 -39.02 59.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 234' ' ' SER . . . . . 0.83 ' O ' HG22 ' A' ' 239' ' ' THR . 0.9 OUTLIER -65.46 -52.45 52.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 110.01 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -59.77 -44.44 93.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 236' ' ' ILE . . . . . 0.691 HG12 HG22 ' A' ' 258' ' ' VAL . 52.1 mt -60.32 -21.01 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 237' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -79.41 -22.09 44.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 93.14 21.72 29.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 239' ' ' THR . . . . . 0.83 HG22 ' O ' ' A' ' 234' ' ' SER . 4.5 t -75.68 -37.03 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 240' ' ' THR . . . . . 0.819 HG23 HG23 ' A' ' 239' ' ' THR . 72.0 p -123.36 -1.99 8.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.35 140.4 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 242' ' ' THR . . . . . 0.588 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.4 OUTLIER -89.82 176.69 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 243' ' ' LEU . . . . . 0.643 HD22 HD12 ' A' ' 247' ' ' ILE . 3.2 tm? -69.67 -53.1 20.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -53.88 -56.39 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.4 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . 0.55 ' H ' HG22 ' A' ' 242' ' ' THR . 5.7 mt-10 -60.32 -33.21 72.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.247 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 246' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 242' ' ' THR . 8.5 mm-40 -64.0 -65.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 247' ' ' ILE . . . . . 0.973 HD11 HG21 ' A' ' 180' ' ' THR . 0.7 OUTLIER -45.0 -37.03 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -65.64 -36.03 91.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 249' ' ' TRP . . . . . 0.468 ' N ' ' O ' ' A' ' 246' ' ' GLN . 0.3 OUTLIER -73.28 -47.77 40.21 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.9 ptp -68.74 -13.52 62.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 251' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 251' ' ' THR . 98.6 m -118.29 21.9 12.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 252' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 255' ' ' PRO . 1.2 t-80 -89.41 176.53 6.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.531 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 253' ' ' ASN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 4.8 t30 -125.39 111.43 26.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 254' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -74.95 155.0 99.99 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.967 -0.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 255' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.08 120.05 5.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 256' ' ' ILE . . . . . 0.902 HG21 ' CG ' ' A' ' 231' ' ' PRO . 11.2 mt -81.32 136.18 49.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 257' ' ' PRO . . . . . 0.692 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.1 Cg_endo -75.06 53.45 3.37 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 258' ' ' VAL . . . . . 0.691 HG22 HG12 ' A' ' 236' ' ' ILE . 2.2 t -65.39 -63.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 259' ' ' GLY . . . . . 0.406 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.13 -39.69 97.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -65.02 -35.42 81.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 110.362 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 261' ' ' ILE . . . . . 0.692 HD12 ' O ' ' A' ' 257' ' ' PRO . 6.8 mt -64.73 -43.39 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 262' ' ' TYR . . . . . 0.582 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.4 t80 -64.45 -47.35 79.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 263' ' ' LYS . . . . . 0.76 ' HE3' HD13 ' A' ' 267' ' ' ILE . 0.0 OUTLIER -56.86 -43.88 81.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.372 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -56.72 -34.09 67.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 265' ' ' TRP . . . . . 0.662 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 46.7 m0 -62.5 -47.83 82.22 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . 0.878 HG22 HD11 ' A' ' 270' ' ' LEU . 72.1 mt -57.53 -46.97 86.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.896 HD11 ' HB3' ' A' ' 173' ' ' SER . 0.6 OUTLIER -60.01 -31.16 47.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -57.43 12.84 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.397 1.06 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 269' ' ' GLY . . . . . 0.702 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -61.96 -59.0 10.31 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 0.0 111.061 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 270' ' ' LEU . . . . . 0.878 HD11 HG22 ' A' ' 266' ' ' ILE . 11.0 mt -42.6 -28.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 271' ' ' ASN . . . . . 0.416 ' N ' HD11 ' A' ' 169' ' ' ILE . 0.9 OUTLIER -70.47 -47.59 59.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 269' ' ' GLY . 11.1 tttt -67.7 -43.55 79.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 52.1 mt -60.57 -46.18 95.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 274' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 164' ' ' PHE . 38.4 t -62.96 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -67.06 -16.37 64.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -37.88 57.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.83 18.1 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 87.9 p -71.96 113.7 22.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.048 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.74 176.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.79 121.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -172.92 176.03 3.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 7' ' ' VAL . 77.5 p -179.03 94.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.093 HG11 HG21 ' A' ' 34' ' ' ILE . 39.5 t -152.81 -66.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.801 HD21 HD11 ' A' ' 85' ' ' LEU . 11.6 mt -103.59 155.42 18.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.15 179.71 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.38 -58.01 16.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.08 -40.83 23.82 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.61 ' OE2' HG12 ' A' ' 88' ' ' VAL . 1.2 mt-10 -58.89 -40.63 84.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.576 HD11 HD13 ' A' ' 31' ' ' LEU . 6.4 tp -66.62 -43.18 85.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 3.1 t70 -56.57 -31.83 64.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -45.31 35.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.833 ' CE3' HD22 ' A' ' 85' ' ' LEU . 27.9 t-105 -56.65 -59.02 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -22.02 58.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 1.1 mmpt? -86.6 46.75 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.466 HD13 HG13 ' A' ' 84' ' ' VAL . 75.8 mt -149.15 119.21 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' CG ' ' HB3' ' A' ' 96' ' ' ASP . 4.4 ptm85 -72.26 138.9 47.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.244 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.796 HD23 ' N ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -65.46 -133.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.73 156.01 92.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.02 11.14 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.543 1.812 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.0 -1.03 60.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.153 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.01 -38.71 5.37 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 62.13 46.55 6.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.76 143.01 51.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -105.52 142.95 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.675 ' N ' HD21 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -60.2 149.48 32.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -142.53 168.46 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.576 HD13 HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.06 -28.03 68.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -44.88 95.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -62.95 -36.07 82.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.093 HG21 HG11 ' A' ' 7' ' ' VAL . 5.7 mt -63.54 -50.26 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -57.04 -45.12 83.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -62.44 -39.64 94.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.15 -52.75 64.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.665 ' CB ' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -62.79 -34.86 78.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.72 -41.24 94.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -65.1 -34.91 79.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.889 ' O ' HG12 ' A' ' 46' ' ' VAL . 95.8 mt -61.72 -48.7 79.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -56.92 -32.74 66.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -71.6 -30.24 65.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 53.3 t80 -78.29 2.98 16.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 74.37 34.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.889 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.7 p -124.92 150.24 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -63.85 125.17 87.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.95 18.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.65 -8.1 62.67 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.753 HD12 HD11 ' A' ' 60' ' ' ILE . 22.2 mt -74.25 -24.62 59.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.665 HD23 ' CB ' ' A' ' 38' ' ' SER . 10.5 tp -78.75 -20.71 49.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.79 -22.04 63.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.91 153.99 43.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.504 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 8.0 t -69.87 -29.17 66.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.47 -49.91 65.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -65.71 -35.35 90.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.719 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -64.17 -39.62 94.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -46.05 90.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -59.19 -38.9 80.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.753 HD11 HD12 ' A' ' 50' ' ' LEU . 1.2 mp -67.54 -69.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.525 ' N ' HG22 ' A' ' 60' ' ' ILE . 14.0 tp -43.9 -32.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.79 -48.91 58.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -92.77 20.99 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.275 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.535 HD23 ' CD2' ' A' ' 79' ' ' TYR . 11.9 tp -111.69 -28.45 8.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.602 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -52.75 -45.23 96.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.94 -40.37 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.825 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.2 OUTLIER -68.46 -12.11 60.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.967 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.5 mt -71.12 -43.95 66.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.16 -7.01 51.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.825 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.15 -5.45 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.618 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.74 -99.38 0.42 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.458 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 26.8 p 167.54 -177.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.09 -41.02 87.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -71.32 -46.25 61.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.618 HD13 ' CA ' ' A' ' 71' ' ' GLY . 7.1 tt -59.84 -34.26 72.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.512 ' HA ' HD22 ' A' ' 68' ' ' LEU . 2.9 ttm-85 -61.18 -48.93 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.2 -35.2 64.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.713 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -62.32 -47.11 85.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.967 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.5 t80 -62.77 -40.67 98.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.657 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.5 t-20 -62.82 -29.88 71.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.575 HG23 ' HH2' ' A' ' 16' ' ' TRP . 53.5 m -70.01 -46.48 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.719 HG23 ' SG ' ' A' ' 57' ' ' CYS . 7.5 mt -66.18 -43.99 91.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.971 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -49.95 -51.57 40.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.571 HG22 ' HB2' ' A' ' 100' ' ' ALA . 4.2 t -58.62 -43.26 87.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.833 HD22 ' CE3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -56.75 -42.94 80.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -60.81 -32.7 72.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.52 ' HA ' HD12 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -69.87 -39.88 76.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.331 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.61 HG12 ' OE2' ' A' ' 12' ' ' GLU . 43.1 t -64.79 -32.85 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.504 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 23.7 m80 -67.88 -40.22 83.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.618 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.701 ' CB ' HD11 ' A' ' 92' ' ' ILE . 1.7 mm-40 -85.4 -20.13 30.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 87' ' ' CYS . 1.2 ttt180 71.52 48.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.701 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.4 mp -90.29 141.33 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -62.63 106.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 9.1 m -130.62 171.94 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -144.07 -46.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.409 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -122.48 170.87 9.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.657 HG22 ' CG ' ' A' ' 80' ' ' ASN . 85.2 m -59.91 -45.48 92.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -60.41 -31.73 70.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -33.52 76.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.836 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.17 -38.77 78.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.597 HD13 ' OD1' ' A' ' 80' ' ' ASN . 1.1 mp -56.55 -46.65 80.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -72.69 -42.26 64.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.459 ' CG ' HG22 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.58 -62.19 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.971 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.7 pt -55.83 -30.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 3.5 mt-10 -56.98 -53.94 52.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.41 -50.3 73.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -52.05 -51.11 59.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.04 -54.94 36.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -53.08 -28.14 23.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -54.12 8.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -60.32 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.91 -37.77 4.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 -57.11 12.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -49.41 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.7 23.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -49.71 51.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.657 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 1.6 tt0 -51.97 -52.18 52.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 119' ' ' ALA . . . -56.98 -60.16 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' ALA . . . -40.06 -35.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -63.28 -61.17 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' THR . 27.7 t70 -92.36 35.92 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' ASP . 1.2 m -38.29 152.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -144.05 -62.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.47 96.35 7.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -178.55 167.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 64.3 p -75.16 120.56 20.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.96 165.51 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.7 p -131.52 153.41 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.1 p -75.44 167.87 21.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -141.29 158.79 43.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -103.92 165.49 11.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.534 ' O ' ' CG ' ' A' ' 132' ' ' TYR . 11.4 p90 -133.95 93.59 20.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.27 25.21 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 5.9 tt -151.95 149.23 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -144.14 150.41 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -56.29 137.84 51.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.345 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -78.58 138.92 38.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 139' ' ' GLN . 1.2 pp -113.37 164.55 13.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.509 ' N ' HD12 ' A' ' 138' ' ' LEU . 34.4 mt-30 -108.45 123.0 48.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.269 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -68.86 -141.17 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -144.37 150.35 37.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.78 150.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.529 ' O ' HG23 ' A' ' 143' ' ' VAL . 35.4 m -136.19 103.43 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -82.92 142.59 31.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.622 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.89 147.92 29.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.79 -176.53 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 1.044 HD12 ' OD1' ' A' ' 183' ' ' ASP . 1.2 tt -85.39 143.45 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.91 159.86 53.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.71 14.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.454 1.765 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -65.28 -38.08 89.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.552 HG21 HG12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -73.33 -40.42 64.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.897 ' O ' HG23 ' A' ' 156' ' ' VAL . 17.4 mt -55.1 -43.53 74.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -64.81 -41.41 95.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -57.53 -49.08 77.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.575 ' CZ2' HG22 ' A' ' 159' ' ' VAL . 27.3 t-105 -62.1 -47.28 85.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 152' ' ' LEU . 53.1 t -45.42 -43.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -36.69 83.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 154' ' ' ALA . 90.0 t -63.39 -44.95 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.575 HG22 ' CZ2' ' A' ' 155' ' ' TRP . 94.6 t -61.27 -46.73 96.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.56 -16.51 64.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 110.364 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.45 -52.66 7.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.649 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -165.09 58.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.733 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -39.02 -47.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -109.68 105.59 14.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.666 ' O ' HG12 ' A' ' 168' ' ' VAL . 44.3 p 179.84 163.52 0.84 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.3 Cg_endo -74.98 -17.54 19.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.74 5.18 52.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.733 HG11 ' O ' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -110.52 -32.93 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.5 mm -56.53 -44.34 99.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.95 -37.45 2.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.469 ' SD ' HG13 ' A' ' 158' ' ' VAL . 0.0 OUTLIER -62.34 -38.02 87.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.547 ' HB2' ' CH2' ' A' ' 155' ' ' TRP . 17.7 t80 -71.26 -44.43 65.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . 0.452 ' HB3' HD11 ' A' ' 267' ' ' ILE . 20.5 p -61.8 -27.5 68.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.57 -45.86 61.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.522 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.12 -10.94 59.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.449 ' HB2' HD23 ' A' ' 184' ' ' LEU . 0.3 OUTLIER -119.6 13.99 12.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 173' ' ' SER . 10.8 pt-20 -42.6 116.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.71 65.28 0.67 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.749 ' HB1' ' OD2' ' A' ' 183' ' ' ASP . . . -103.7 170.65 7.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.725 HG21 HD11 ' A' ' 247' ' ' ILE . 0.8 OUTLIER -94.66 -175.77 0.5 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.38 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.2 Cg_endo -75.01 -37.25 2.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -69.59 -30.52 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 1.044 ' OD1' HD12 ' A' ' 147' ' ' ILE . 3.5 t0 -82.85 -49.31 9.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 180' ' ' THR . 13.1 mt -61.86 -38.22 87.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 181' ' ' PRO . 77.6 m-20 -64.7 -42.37 95.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.891 HG22 HD21 ' A' ' 152' ' ' LEU . 0.7 OUTLIER -61.28 -47.64 85.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.414 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.571 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -63.06 -44.93 94.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 201' ' ' LEU . 0.9 OUTLIER -66.74 -20.46 65.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.79 -48.95 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 187' ' ' MET . 9.2 t -66.74 -18.62 65.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.667 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -51.07 -179.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.459 ' H ' HG22 ' A' ' 191' ' ' VAL . . . 170.44 96.57 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -143.66 -51.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -171.64 118.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.566 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.55 -37.99 74.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.53 -49.39 76.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.646 ' HB1' ' CG2' ' A' ' 273' ' ' ILE . . . -59.32 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.667 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.5 OUTLIER -58.05 -33.35 68.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 111.01 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -62.31 -54.54 39.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.38 -39.52 83.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.869 ' HB2' HD11 ' A' ' 273' ' ' ILE . 1.6 tp -57.64 -42.7 83.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -62.15 -34.44 76.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -66.93 -46.35 75.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -41.35 88.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.767 HD11 ' HA ' ' A' ' 266' ' ' ILE . 15.3 mt -63.56 -55.04 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -58.47 -40.96 84.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.11 -29.72 70.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 265' ' ' TRP . 0.6 OUTLIER -63.07 -40.92 99.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.76 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -66.15 -50.21 64.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.02 75.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.61 -39.82 95.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . 0.759 ' CE3' HD11 ' A' ' 215' ' ' LEU . 38.6 t-105 -57.69 -59.43 5.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 108.003 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -56.37 -33.68 65.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.12 -41.91 93.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.253 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.759 HD11 ' CE3' ' A' ' 212' ' ' TRP . 2.9 pp -94.18 0.43 55.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -111.42 97.5 36.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.596 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 108.69 2.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 75.5 t -86.09 97.88 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -126.3 67.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.587 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -107.44 116.56 32.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -67.2 -141.29 0.06 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 78.67 2.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.81 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 229' ' ' ARG . 20.4 tt -52.44 162.21 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.769 ' HB3' ' CG ' ' A' ' 227' ' ' GLN . . . -62.11 160.94 26.9 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 224' ' ' ALA . 18.3 Cg_endo -74.98 102.86 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 102.29 -17.2 54.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.769 ' CG ' ' HB3' ' A' ' 224' ' ' ALA . 0.5 OUTLIER -44.26 160.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.271 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 252' ' ' HIS . 0.4 OUTLIER -89.29 91.14 8.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 0.416 ' HA ' ' CD1' ' A' ' 223' ' ' ILE . 0.0 OUTLIER -49.95 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.43 109.56 53.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.505 ' HG3' ' CD2' ' A' ' 249' ' ' TRP . 18.3 Cg_endo -74.96 141.95 27.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.54 1.81 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.69 175.86 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.76 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -45.79 -38.27 7.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . 0.561 ' O ' ' HB3' ' A' ' 237' ' ' ALA . 7.0 m -66.65 -43.19 85.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.6 -47.37 85.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.496 HG12 HG22 ' A' ' 258' ' ' VAL . 32.7 mt -60.65 -23.61 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -73.61 -22.77 59.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 99.16 17.66 26.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.24 -38.31 15.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 0.788 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 240' ' ' THR . 43.9 m -111.52 6.36 20.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.412 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 18.3 t -146.41 143.18 28.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.552 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -91.06 174.12 7.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.563 HD22 HD12 ' A' ' 247' ' ' ILE . 3.0 tm? -57.48 -53.31 59.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -52.39 44.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.54 71.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . 0.461 ' HG3' ' CG1' ' A' ' 258' ' ' VAL . 1.8 tp60 -65.17 -66.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.725 HD11 HG21 ' A' ' 180' ' ' THR . 1.0 OUTLIER -48.25 -42.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.69 -51.43 58.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.547 ' CE2' ' SD ' ' A' ' 228' ' ' MET . 0.0 OUTLIER -58.7 -32.84 69.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 21.0 mtm -69.89 -41.34 74.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 13.8 t -100.75 22.43 12.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 228' ' ' MET . 0.2 OUTLIER -80.79 169.8 17.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.615 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 21.6 m-80 -121.62 111.43 33.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.97 159.3 98.2 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.996 -0.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -75.03 129.27 12.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . 0.551 HG23 ' HD2' ' A' ' 257' ' ' PRO . 4.2 mt -103.5 137.99 19.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 256' ' ' ILE . 18.1 Cg_endo -75.07 55.4 3.97 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.496 HG22 HG12 ' A' ' 236' ' ' ILE . 2.3 t -61.68 -64.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.65 97.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.8 -38.35 85.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.696 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 11.4 mt -64.46 -45.64 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . 0.519 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.2 t80 -65.15 -39.85 93.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.05 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.416 ' HE2' ' N ' ' A' ' 264' ' ' ARG . 1.1 ttpt -61.82 -44.55 96.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.416 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -62.96 -31.65 72.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.696 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 53.7 m0 -61.81 -48.14 81.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 108.027 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.8 HG22 ' CD1' ' A' ' 270' ' ' LEU . 69.0 mt -57.52 -46.05 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 173' ' ' SER . 0.5 OUTLIER -59.72 -36.27 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -53.53 57.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.774 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.55 -60.38 7.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.8 ' CD1' HG22 ' A' ' 266' ' ' ILE . 13.3 mt -45.95 -31.88 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -46.96 84.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.2 OUTLIER -69.2 -37.52 78.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 0.869 HD11 ' HB2' ' A' ' 201' ' ' LEU . 52.0 mt -60.93 -45.67 97.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.626 HG22 ' N ' ' A' ' 165' ' ' SER . 40.3 t -69.11 -45.55 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -16.39 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 2.8 mtt -93.79 -37.86 11.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.72 18.55 14.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.0 150.18 92.52 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 104.94 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 8.0 m 38.82 78.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 93.6 p -73.97 162.04 29.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 16.0 tt -103.67 162.39 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -87.0 158.66 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -171.66 154.08 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.561 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -172.6 141.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.604 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -169.65 122.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.596 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -150.37 170.49 18.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.599 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.74 95.21 5.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -178.5 138.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 109.269 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.76 -58.31 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 110.313 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.7 -82.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.528 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -176.24 55.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.068 HG11 HG21 ' A' ' 34' ' ' ILE . 19.3 t -154.94 -65.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.593 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 10.3 mt -104.11 151.14 23.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.83 179.57 7.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.401 1.063 . . . . 0.0 109.983 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.69 -57.63 18.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.054 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -41.15 27.13 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.23 -39.33 82.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.71 HD21 HD21 ' A' ' 31' ' ' LEU . 8.4 tp -67.5 -40.5 85.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 23.3 t0 -55.88 -32.04 63.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -45.14 34.67 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.792 ' CE3' HD12 ' A' ' 85' ' ' LEU . 56.4 t-105 -56.38 -61.15 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 107.995 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -21.14 57.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 12.8 tttt -91.05 39.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.837 HD13 HG13 ' A' ' 84' ' ' VAL . 56.4 mt -141.59 136.8 31.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.418 1.074 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.56 146.35 26.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -71.32 -137.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -59.51 159.71 16.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 124.82 8.88 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.3 -0.88 62.1 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.76 -30.83 10.85 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER 54.66 23.49 4.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -95.46 152.29 18.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.708 ' C ' HD21 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -109.8 148.02 32.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.722 ' N ' HD21 ' A' ' 21' ' ' LEU . 1.2 m-85 -72.94 151.78 41.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -141.01 167.24 22.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.71 HD21 HD21 ' A' ' 13' ' ' LEU . 2.6 mm? -61.66 -28.03 69.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -44.74 95.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -62.8 -37.13 85.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.561 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.068 HG21 HG11 ' A' ' 7' ' ' VAL . 5.1 mt -62.17 -49.71 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.41 -43.5 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -62.64 -40.59 97.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.504 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.16 -52.76 64.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -34.82 76.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.053 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 -60.67 -41.11 94.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.82 -34.82 79.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.958 ' O ' HG12 ' A' ' 46' ' ' VAL . 42.5 mt -58.58 -49.92 75.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -57.01 -39.43 74.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -35.78 78.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.216 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.549 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 17.4 t80 -76.01 -1.23 24.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 74.49 40.55 0.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.958 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.8 p -125.06 150.11 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.02 129.0 93.68 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.79 18.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.35 -8.98 60.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -72.33 -39.89 67.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.527 0.781 . . . . 0.0 109.25 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.636 HD11 HD22 ' A' ' 85' ' ' LEU . 8.8 tp -66.94 -10.71 51.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.19 -21.89 36.25 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.8 154.35 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.432 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.54 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 96.2 p -70.01 -29.2 66.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.1 -50.08 65.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.535 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -69.99 -37.38 73.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.421 1.076 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.822 ' SG ' HG23 ' A' ' 82' ' ' ILE . 4.6 t -64.07 -39.13 93.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -60.03 -46.04 90.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.98 -28.67 69.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.647 HG22 ' N ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -71.17 -71.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.647 ' N ' HG22 ' A' ' 60' ' ' ILE . 13.9 tp -46.43 -31.07 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.18 -49.08 42.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.25 18.6 5.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.514 HD23 ' CD2' ' A' ' 79' ' ' TYR . 14.6 tp -112.12 -26.97 8.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.6 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 5.3 tm0? -52.86 -45.15 97.61 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 110.274 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -74.97 -40.36 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.815 ' HA ' HG22 ' A' ' 70' ' ' THR . 70.5 m -68.31 -11.95 60.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.051 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.963 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.5 mt -71.14 -43.99 66.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.67 -7.48 52.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.815 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.2 t -120.31 -5.5 9.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.405 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.599 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.1 -98.46 0.38 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.497 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 32.8 p 166.4 -177.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.946 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -59.22 -41.01 87.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.21 -46.58 60.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.599 HD13 ' CA ' ' A' ' 71' ' ' GLY . 7.2 tt -59.91 -34.31 73.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.522 ' HA ' HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -60.98 -49.51 77.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -35.23 64.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.661 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -62.08 -47.16 85.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.963 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -62.65 -42.48 99.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.656 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.5 t-20 -60.36 -31.79 70.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.717 HG23 ' HH2' ' A' ' 16' ' ' TRP . 23.6 m -69.17 -45.08 70.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.394 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.822 HG23 ' SG ' ' A' ' 57' ' ' CYS . 23.3 mt -67.54 -38.58 80.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.979 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -52.17 -55.35 21.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.837 HG13 HD13 ' A' ' 19' ' ' ILE . 2.6 t -58.71 -41.11 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.792 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -57.35 -37.89 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.495 ' O ' ' CD2' ' A' ' 89' ' ' HIS . 37.8 t80 -59.83 -54.96 40.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -58.5 -36.01 73.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -63.65 -40.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 0.0 OUTLIER -55.97 -40.2 72.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.522 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.518 ' HG2' ' CE1' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -86.8 -17.19 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 81.24 40.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.25 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.834 HG22 HG13 ' A' ' 94' ' ' VAL . 1.3 mp -75.91 141.23 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -69.95 101.51 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.834 HG13 HG22 ' A' ' 92' ' ' ILE . 16.8 m -140.81 153.64 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -147.58 19.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.517 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 15.8 t70 -164.41 149.2 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.656 HG22 ' CG ' ' A' ' 80' ' ' ASN . 7.9 m -60.75 -35.12 75.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.517 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 11.5 tttt -69.56 -34.07 73.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -42.49 98.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -68.98 -38.99 79.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.534 HD13 ' OD1' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -56.72 -45.63 81.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.82 -41.87 64.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -62.45 1.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.979 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pt -56.09 -28.04 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 5.8 mt-10 -57.17 -53.98 51.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -48.46 81.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -51.98 -51.01 60.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -55.37 -52.98 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -52.96 -43.83 66.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.358 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -55.36 36.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.34 -50.66 50.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.972 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -52.21 -54.21 33.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -51.26 -53.49 34.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -49.75 -51.0 42.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.413 1.071 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.55 -55.17 27.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.51 -48.85 47.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -54.26 40.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.24 -55.61 23.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.34 -48.56 2.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.52 -56.67 12.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.34 -58.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.8 p -63.28 -51.84 64.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -70.79 89.66 0.38 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -159.63 116.29 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -133.67 167.86 19.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 71.5 m 62.99 136.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.948 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -172.74 139.4 0.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 128' ' ' VAL . 35.3 m -136.34 115.14 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 47.7 p -92.9 153.8 18.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 110.049 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -110.19 154.11 23.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -62.48 163.84 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.556 ' CD2' ' HD2' ' A' ' 133' ' ' PRO . 0.2 OUTLIER -146.6 155.81 48.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.556 ' HD2' ' CD2' ' A' ' 132' ' ' TYR . 18.3 Cg_endo -75.01 157.67 42.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 0.0 111.016 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.46 142.86 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.4 m -93.98 156.96 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.15 171.49 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.256 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -174.05 161.68 3.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 139' ' ' GLN . 2.6 tt -119.49 168.17 11.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.63 ' N ' HD23 ' A' ' 138' ' ' LEU . 0.8 OUTLIER 67.71 164.97 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.334 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -105.93 -140.97 10.26 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.55 91.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 16.1 ptm -128.75 175.53 8.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 143' ' ' VAL . 34.9 m -123.88 89.52 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.632 ' HB3' HG21 ' A' ' 247' ' ' ILE . 0.1 OUTLIER -77.66 142.8 38.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.596 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -81.91 148.03 28.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.71 176.27 7.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.562 ' CG2' HG21 ' A' ' 186' ' ' THR . 1.6 tt -78.66 143.95 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.3 160.93 53.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.967 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -23.49 13.83 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -37.12 85.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.554 HG21 HG12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -75.5 -32.7 60.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.431 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.878 ' O ' HG23 ' A' ' 156' ' ' VAL . 26.6 mt -64.95 -43.18 93.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.82 -43.77 78.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.18 -49.19 76.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.591 ' CE2' HG23 ' A' ' 159' ' ' VAL . 19.3 t-105 -62.14 -48.77 78.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 152' ' ' LEU . 39.7 t -47.46 -43.55 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.69 -33.41 72.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.552 HG11 ' HG2' ' A' ' 171' ' ' MET . 84.7 t -75.04 -37.87 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.678 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 6.4 t -63.41 -42.29 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.62 -35.68 52.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.389 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.55 -27.8 66.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.283 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.717 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -129.47 -76.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.221 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.52 -47.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 277' ' ' TYR . 32.2 p90 -150.77 112.58 4.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.578 1.174 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.615 ' N ' HG22 ' A' ' 274' ' ' VAL . 41.7 p -179.55 161.74 0.93 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.3 Cg_endo -74.94 -18.07 19.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.585 1.834 . . . . 0.0 111.052 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.6 2.34 56.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.248 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -108.31 -33.67 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.618 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.3 mm -51.57 -45.53 90.94 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.12 -34.71 3.52 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.439 1.758 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.552 ' HG2' HG11 ' A' ' 158' ' ' VAL . 9.8 tpt -61.97 -37.59 85.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.857 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 64.9 t80 -62.47 -44.37 96.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 20.8 t -62.86 -30.24 71.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.71 89.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -76.87 -10.08 59.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.472 ' CB ' HD21 ' A' ' 184' ' ' LEU . 3.8 t -108.39 14.1 25.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -43.25 111.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 40.07 64.18 1.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.7 -175.6 2.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 0.789 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.908 HG21 HD11 ' A' ' 247' ' ' ILE . 0.2 OUTLIER -115.35 -174.12 0.27 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.627 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.5 Cg_endo -74.93 -40.99 0.75 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 185' ' ' ASN . 3.4 tt0 -69.25 -64.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.88 -42.66 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 180' ' ' THR . 55.6 mt -70.25 -39.22 75.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 182' ' ' GLN . 1.1 t30 -55.16 -41.1 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.798 ' CG2' HD21 ' A' ' 152' ' ' LEU . 0.4 OUTLIER -65.41 -43.7 89.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.477 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.556 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.6 OUTLIER -61.6 -45.49 93.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.461 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 1.0 OUTLIER -67.04 -17.73 65.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -79.82 -48.87 12.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.405 ' CG2' HD22 ' A' ' 152' ' ' LEU . 8.3 t -71.24 -8.42 53.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.398 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.646 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.5 OUTLIER -52.3 -176.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.509 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -165.69 56.49 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . 0.7 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -114.24 31.67 6.34 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 76.58 134.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 0.729 . . . . 0.0 109.615 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -60.36 -38.1 82.78 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.32 77.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.2 -48.82 80.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.646 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.1 OUTLIER -57.88 -38.42 75.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 0.0 110.976 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -60.37 -54.52 44.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 33.4 ttp -58.82 -29.12 66.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 1.034 HD13 HD11 ' A' ' 273' ' ' ILE . 0.9 OUTLIER -65.54 -36.88 85.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.213 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 2.1 ttpt -68.73 -29.8 68.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 0.1 OUTLIER -67.27 -46.9 72.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -48.93 34.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.868 HD11 ' HA ' ' A' ' 266' ' ' ILE . 23.5 mt -59.03 -55.83 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.369 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 55.3 t30 -58.47 -38.81 78.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 2.7 tm-20 -65.62 -29.36 69.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . 0.635 ' OE1' HD22 ' A' ' 268' ' ' LEU . 1.0 OUTLIER -65.42 -38.59 90.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.242 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.743 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -71.72 -49.91 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.5 -48.08 75.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . 0.442 ' O ' HD12 ' A' ' 215' ' ' LEU . 6.8 tt0 -67.69 -36.91 81.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . 0.458 ' CZ2' ' ND1' ' A' ' 216' ' ' HIS . 31.1 t-105 -57.73 -61.68 2.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 107.971 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -56.44 -33.32 65.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -59.2 -35.54 73.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.563 1.164 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 211' ' ' GLU . 0.8 OUTLIER -105.63 -1.34 24.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . 0.458 ' ND1' ' CZ2' ' A' ' 212' ' ' TRP . 10.7 t60 -112.25 94.78 27.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.571 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 119.99 5.9 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 0.674 ' O ' HG12 ' A' ' 218' ' ' VAL . 78.8 t -135.65 49.47 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 218' ' ' VAL . 2.1 t-80 36.62 88.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.567 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -69.37 72.83 0.32 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -137.57 -137.04 3.54 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -174.77 2.05 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.479 1.778 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.898 HD11 ' HA ' ' A' ' 228' ' ' MET . 9.9 tt -164.69 160.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.232 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.55 ' HB3' ' CB ' ' A' ' 227' ' ' GLN . . . -70.63 158.62 87.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.34 3.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 70.85 4.76 55.6 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.55 ' CB ' ' HB3' ' A' ' 224' ' ' ALA . 5.9 mm-40 -108.24 71.33 0.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.435 0.727 . . . . 0.0 110.263 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.898 ' HA ' HD11 ' A' ' 223' ' ' ILE . 0.0 OUTLIER -55.3 86.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 227' ' ' GLN . 0.0 OUTLIER -76.74 104.09 7.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.493 ' O ' HG11 ' A' ' 218' ' ' VAL . 19.1 mt-10 65.08 83.57 0.19 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 137.7 22.13 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.433 1.754 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.09 -178.56 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.236 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.743 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -53.41 -38.84 58.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 13.2 t -63.19 -41.64 99.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.958 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.19 -38.23 90.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.706 HG12 HG23 ' A' ' 258' ' ' VAL . 24.2 mt -60.44 -29.08 43.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.9 -23.09 61.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 1.182 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 95.35 21.0 25.86 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.36 -38.27 16.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 24.4 m -102.45 -1.67 30.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 44.4 t -142.15 151.82 42.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.583 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -90.05 176.03 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 110.445 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.583 ' N ' HG23 ' A' ' 242' ' ' THR . 3.0 tm? -67.18 -50.59 60.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -51.61 -53.6 36.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.456 ' H ' HG22 ' A' ' 242' ' ' THR . 2.3 mm-40 -61.05 -31.43 71.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . 0.492 ' CG ' HG11 ' A' ' 258' ' ' VAL . 0.0 OUTLIER -63.95 -67.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.908 HD11 HG21 ' A' ' 180' ' ' THR . 1.0 OUTLIER -46.54 -40.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.42 -50.05 71.83 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.566 1.166 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.595 ' CD1' ' SD ' ' A' ' 228' ' ' MET . 0.7 OUTLIER -62.62 -31.58 72.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . 0.418 ' HG3' HG12 ' A' ' 258' ' ' VAL . 7.7 mtm -66.94 -23.64 65.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 15.1 t -117.9 21.82 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.427 ' O ' ' CA ' ' A' ' 255' ' ' PRO . 49.7 t-80 -93.32 172.4 8.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.51 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 32.2 t-20 -119.69 114.15 34.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.36 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.51 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -74.96 159.21 98.34 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 120.994 -2.503 . . . . 0.0 111.01 0.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.427 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.07 121.11 6.35 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.483 1.78 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . 0.535 HD13 ' CD1' ' A' ' 249' ' ' TRP . 5.9 mt -90.02 116.42 66.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.822 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.2 Cg_endo -74.98 55.74 4.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.531 1.806 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.706 HG23 HG12 ' A' ' 236' ' ' ILE . 0.3 OUTLIER -59.84 -44.29 93.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . 0.416 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -69.81 -39.02 76.6 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.72 -32.42 70.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.299 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.822 HD12 ' O ' ' A' ' 257' ' ' PRO . 4.7 mt -73.04 -46.18 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . 0.627 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 8.5 t80 -65.35 -48.47 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.711 ' HA ' HD12 ' A' ' 266' ' ' ILE . 0.0 OUTLIER -56.33 -38.8 71.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 2.7 mtt-85 -62.76 -36.44 83.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.244 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.474 ' CH2' ' HB2' ' A' ' 209' ' ' ALA . 54.7 m0 -62.01 -43.59 98.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.031 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.926 HG22 HD11 ' A' ' 270' ' ' LEU . 36.1 mt -57.17 -47.54 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -28.83 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . 0.635 HD22 ' OE1' ' A' ' 208' ' ' GLU . 0.0 OUTLIER -61.3 -57.65 11.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.544 ' C ' HD11 ' A' ' 201' ' ' LEU . . . -62.17 -57.26 17.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.926 HD11 HG22 ' A' ' 266' ' ' ILE . 11.1 mt -45.98 -35.66 4.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -40.18 96.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 269' ' ' GLY . 54.1 tttt -69.14 -37.74 78.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 1.034 HD11 HD13 ' A' ' 201' ' ' LEU . 35.9 mt -62.29 -46.18 97.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.615 HG22 ' N ' ' A' ' 165' ' ' SER . 77.3 t -68.73 -41.8 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -16.38 64.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.0 -37.87 12.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 0.569 ' HB3' ' CD2' ' A' ' 164' ' ' PHE . 0.7 OUTLIER -99.23 14.65 28.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.46 154.96 71.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -41.33 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 67.9 p -112.55 119.01 36.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.7 104.72 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 72.3 mt -80.25 97.38 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.19 150.6 9.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.94 169.87 17.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.517 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -141.99 162.61 35.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.59 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.21 132.0 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.605 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 288' ' ' HIS . 7.7 t60 -126.43 160.08 31.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.672 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . 0.437 ' N ' ' CG ' ' A' ' 287' ' ' HIS . 0.4 OUTLIER -175.76 135.6 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.632 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 25.0 p80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.599 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -174.82 -61.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 4.5 ppt_? 177.68 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.417 ' N ' ' HD2' ' A' ' 4' ' ' ARG . . . -40.51 -61.17 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -141.25 -179.44 6.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.901 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.049 HG11 HG21 ' A' ' 34' ' ' ILE . 3.6 t -62.92 -49.09 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.562 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.8 mt -106.81 153.96 21.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.11 179.82 7.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.052 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.93 -57.57 19.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.78 -39.49 24.6 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.03 -38.41 79.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.554 ' CD1' HD11 ' A' ' 31' ' ' LEU . 6.5 tp -72.03 -34.79 69.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -31.55 70.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -78.17 -44.48 25.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.901 ' CH2' HG23 ' A' ' 81' ' ' THR . 64.0 t-105 -56.43 -48.6 76.65 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -69.91 -21.75 63.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -92.61 41.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.645 HD11 HG23 ' A' ' 94' ' ' VAL . 67.9 mt -148.01 125.22 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 151.04 27.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.809 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -73.2 -133.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -71.79 156.61 90.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 128.51 11.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.02 -1.01 60.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.51 -37.55 5.54 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.11 45.27 9.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -126.27 143.17 51.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -107.07 142.85 36.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.793 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -57.0 146.38 27.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.97 165.59 26.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 13' ' ' LEU . 2.6 mm? -61.83 -28.34 69.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -61.95 -44.24 97.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -62.91 -37.74 88.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.604 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.049 HG21 HG11 ' A' ' 7' ' ' VAL . 6.6 mt -61.2 -50.1 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.7 -43.9 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.462 ' CE2' ' OE1' ' A' ' 40' ' ' GLU . 16.7 t90 -62.55 -40.21 96.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 108.063 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 34' ' ' ILE . . . -59.28 -52.9 63.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.239 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -34.83 76.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.094 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -41.1 95.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' OE1' ' CE2' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -64.74 -34.94 79.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.933 ' O ' HG12 ' A' ' 46' ' ' VAL . 95.5 mt -58.74 -49.63 76.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -39.46 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmt-85 -65.69 -32.91 74.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.265 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 37.5 t80 -75.91 -0.04 20.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 73.83 36.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.933 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.8 p -124.74 150.06 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.43 126.27 90.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.71 18.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.573 1.828 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.43 -9.62 61.65 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.831 HD12 HD11 ' A' ' 60' ' ' ILE . 25.6 mt -72.96 -33.39 65.84 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.821 HD11 HD22 ' A' ' 85' ' ' LEU . 13.2 tp -70.55 -19.69 62.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.42 -22.12 63.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.95 150.21 48.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.482 ' CB ' ' CG ' ' A' ' 89' ' ' HIS . 93.2 p -65.94 -30.58 71.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.059 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.26 -38.58 71.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.492 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -70.39 -43.21 62.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.577 1.173 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.2 p -66.08 -35.73 81.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -59.79 -45.96 90.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.2 -35.66 75.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.831 HD11 HD12 ' A' ' 50' ' ' LEU . 1.2 mp -69.23 -70.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.7 HD11 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -42.83 -36.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.18 -49.22 76.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.16 19.07 7.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.553 HD21 ' CD1' ' A' ' 78' ' ' LEU . 16.4 tp -110.16 -22.62 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.611 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -53.98 -44.84 98.89 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -74.99 -40.07 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.828 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.1 m -68.2 -11.95 60.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.993 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.9 mt -71.13 -43.99 66.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.172 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -73.94 -6.93 50.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.828 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.2 t -120.67 -4.88 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.617 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -81.15 -99.12 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.468 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 22.5 p 166.24 -176.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.021 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -58.73 -41.29 86.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.46 -46.48 59.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.617 HD13 ' HA2' ' A' ' 71' ' ' GLY . 6.0 tt -59.38 -34.3 72.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.51 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -61.08 -48.25 82.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.9 t -54.88 -37.62 66.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -59.03 -47.12 86.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.993 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.3 t80 -66.63 -37.65 85.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.755 ' OD1' HD21 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -60.56 -35.89 77.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.901 HG23 ' CH2' ' A' ' 16' ' ' TRP . 13.0 m -70.64 -44.71 66.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.416 HD13 ' CG2' ' A' ' 60' ' ' ILE . 60.5 mt -63.48 -40.25 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 1.066 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -57.52 -53.68 55.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.52 HG22 ' CB ' ' A' ' 100' ' ' ALA . 5.1 t -58.79 -43.72 88.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.821 HD22 HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -57.67 -41.29 81.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 61.7 t80 -62.81 -49.95 72.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.486 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 2.4 p -61.97 -33.58 74.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.521 HG22 ' HB3' ' A' ' 15' ' ' LYS . 3.5 t -60.82 -40.77 86.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.482 ' CG ' ' CB ' ' A' ' 54' ' ' SER . 3.7 t60 -63.09 -34.2 77.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.585 1.178 . . . . 0.0 109.616 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.459 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 3.4 mm-40 -84.84 -19.42 32.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.82 40.48 0.59 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 103' ' ' LYS . 2.6 mp -76.12 141.23 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.72 106.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.645 HG23 HD11 ' A' ' 19' ' ' ILE . 27.2 m -144.51 152.61 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -140.99 12.48 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.389 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -166.4 160.09 15.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.764 ' O ' HD23 ' A' ' 101' ' ' LEU . 54.4 m -60.84 -37.54 82.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -66.4 -31.76 72.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.403 ' HB2' ' CG ' ' A' ' 96' ' ' ASP . 3.8 tp10 -63.01 -41.95 99.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.867 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.03 -43.03 75.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 97' ' ' THR . 4.4 mm? -56.19 -44.21 79.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -73.49 -39.19 65.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.23 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.55 ' HB3' HG21 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -67.13 -61.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.066 HD13 ' HB1' ' A' ' 83' ' ' ALA . 3.8 pt -55.43 -29.81 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 6.0 tt0 -66.76 -54.03 27.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.07 -51.95 67.43 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -53.97 -53.08 57.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -55.04 -52.42 63.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -53.05 -43.81 66.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -54.82 42.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.7 t -50.78 -51.28 52.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -54.18 -53.65 50.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.81 -47.28 21.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -40.92 97.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.33 -60.55 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 117' ' ' GLN . 21.6 pt20 -59.63 -36.97 77.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 4.7 tm0? -56.03 -56.68 17.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.02 -59.46 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.58 -55.21 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.73 -60.14 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -40.33 -58.43 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 55.3 p -71.02 148.81 47.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.395 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -147.96 88.54 0.15 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 40.49 89.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 0.724 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 55.78 105.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 65.1 p -177.98 135.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -179.34 108.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.586 1.179 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.3 p -173.4 134.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.401 1.063 . . . . 0.0 109.244 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.82 129.34 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.152 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 179.06 151.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 176.21 167.82 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -174.41 93.09 0.31 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.148 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 144.49 30.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.561 1.822 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 134' ' ' ILE . 0.6 OUTLIER -171.71 113.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.7 p -160.16 150.46 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 135.64 54.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.421 1.076 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -168.88 119.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.3 pp -172.68 154.69 3.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 179.12 130.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 174.99 171.29 38.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -135.6 169.32 17.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 0.719 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -172.9 134.11 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.1 t -143.12 151.56 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.417 ' HB2' HG23 ' A' ' 247' ' ' ILE . 0.1 OUTLIER -109.83 142.42 41.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.29 147.83 28.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.93 -176.19 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.81 HD12 ' OD1' ' A' ' 183' ' ' ASP . 2.1 tt -88.23 143.39 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.8 164.97 37.37 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 -25.83 11.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.434 1.755 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -65.61 -37.06 85.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.668 HG21 HG12 ' A' ' 147' ' ' ILE . 0.4 OUTLIER -67.41 -37.28 82.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.158 . . . . 0.0 110.361 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 1.002 HD21 HG22 ' A' ' 186' ' ' THR . 28.6 mt -67.76 -43.65 79.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.366 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -67.5 -40.03 85.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -63.21 -48.63 77.49 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.599 ' HE1' HG23 ' A' ' 191' ' ' VAL . 56.6 t-105 -62.03 -44.51 96.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 108.079 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 152' ' ' LEU . 24.6 t -45.41 -43.44 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -35.11 73.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 154' ' ' ALA . 71.3 t -63.43 -37.78 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.931 HG13 ' HB2' ' A' ' 163' ' ' ALA . 60.4 t -63.66 -46.4 94.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -23.77 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -45.53 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 1.025 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.0 OUTLIER 176.17 69.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.931 ' HB2' HG13 ' A' ' 159' ' ' VAL . . . -35.48 -47.03 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' A' ' 164' ' ' PHE . 11.7 p90 -118.43 142.55 47.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.501 ' N ' HG22 ' A' ' 274' ' ' VAL . 0.0 OUTLIER 170.95 171.57 0.18 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -19.33 17.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -103.85 4.94 35.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 1.025 HG21 ' O ' ' A' ' 162' ' ' LYS . 10.7 t -103.3 -33.71 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 3.2 mm -52.56 -45.45 95.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.404 1.065 . . . . 0.0 109.221 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.89 -36.0 2.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -35.49 79.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.385 1.053 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.806 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 2.2 t80 -64.3 -44.35 91.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.9 p -60.1 -34.0 72.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.99 89.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -11.57 59.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.854 ' OG ' HD21 ' A' ' 184' ' ' LEU . 25.7 t -108.05 13.89 25.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 110.046 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -43.55 102.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 41.84 61.6 2.22 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.565 1.165 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.8 -177.18 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.861 HG21 HD11 ' A' ' 247' ' ' ILE . 1.0 OUTLIER -110.99 -178.39 0.53 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.467 1.105 . . . . 0.0 110.39 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.593 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.4 Cg_endo -74.94 -37.99 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.428 ' CB ' ' HG ' ' A' ' 243' ' ' LEU . 0.6 OUTLIER -69.82 -31.09 68.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.81 ' OD1' HD12 ' A' ' 147' ' ' ILE . 2.3 t0 -79.9 -49.17 12.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.854 HD21 ' OG ' ' A' ' 176' ' ' SER . 47.2 mt -63.3 -37.45 87.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -63.62 -37.06 85.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 1.002 HG22 HD21 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -60.74 -43.55 97.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.44 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.559 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -70.02 -45.24 67.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.634 HD21 ' CE2' ' A' ' 172' ' ' PHE . 13.6 mt -63.04 -22.65 67.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -74.98 -45.34 42.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 187' ' ' MET . 4.8 t -76.91 -9.84 58.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.599 HG23 ' HE1' ' A' ' 155' ' ' TRP . 0.5 OUTLIER -52.63 -175.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.511 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -170.15 56.45 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . 0.596 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -108.29 28.18 12.39 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 79.29 147.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.779 . . . . 0.0 109.661 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -68.96 -38.11 79.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.17 -49.28 76.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.17 -49.8 76.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.579 ' HE2' HG11 ' A' ' 191' ' ' VAL . 2.2 mmt -57.96 -33.44 68.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -61.82 -54.5 41.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.176 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 44.7 mtm -58.95 -46.34 88.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.849 ' HB2' HD11 ' A' ' 273' ' ' ILE . 2.6 tp -60.21 -34.36 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -68.38 -41.3 80.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -41.08 88.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.92 -47.99 67.22 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.85 HD11 ' HA ' ' A' ' 266' ' ' ILE . 15.4 mt -61.02 -53.58 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -58.54 -40.84 84.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.251 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -66.15 -29.54 69.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -65.03 -34.14 77.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.722 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -71.49 -50.19 33.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.09 80.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.208 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.72 80.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.09 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . 0.969 ' CE3' HD11 ' A' ' 215' ' ' LEU . 59.7 t-105 -57.69 -53.23 60.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -56.16 -33.29 65.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -41.23 91.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.969 HD11 ' CE3' ' A' ' 212' ' ' TRP . 3.3 pp -95.21 -1.11 52.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -111.52 97.47 36.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 109.584 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.18 6.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.426 1.75 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 0.968 HG22 ' OE2' ' A' ' 230' ' ' GLU . 77.0 t -114.41 148.64 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -126.56 106.59 9.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.643 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -75.52 59.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -121.42 -140.2 5.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 123.9 8.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . . . . . . . . . 3.1 pt -100.51 159.41 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.651 ' HB3' ' CB ' ' A' ' 227' ' ' GLN . . . -65.14 154.51 86.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 112.24 3.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.444 1.76 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 90.7 -25.39 13.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.117 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.651 ' CB ' ' HB3' ' A' ' 224' ' ' ALA . 1.4 tm0? -73.58 106.87 5.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.409 ' HB2' ' NE2' ' A' ' 252' ' ' HIS . 0.1 OUTLIER -48.12 135.3 13.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -52.26 172.57 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.968 ' OE2' HG22 ' A' ' 218' ' ' VAL . 38.6 tt0 -100.39 108.49 53.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.573 ' HD2' ' CZ2' ' A' ' 249' ' ' TRP . 18.5 Cg_endo -74.92 -173.69 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . 0.428 ' CG ' ' OD1' ' A' ' 235' ' ' ASP . 1.9 ptp180 -118.25 174.55 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.229 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.722 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -55.09 -35.18 59.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . 0.97 ' O ' HG22 ' A' ' 239' ' ' THR . 0.4 OUTLIER -59.97 -36.25 76.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 109.997 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . 0.428 ' OD1' ' CG ' ' A' ' 232' ' ' ARG . 1.8 m-20 -67.55 -36.04 80.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.541 HD13 HG21 ' A' ' 261' ' ' ILE . 36.0 mt -60.56 -31.38 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -79.6 -22.27 43.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.22 20.78 29.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . 0.97 HG22 ' O ' ' A' ' 234' ' ' SER . 9.0 t -89.74 -29.76 18.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . 0.862 HG23 HG23 ' A' ' 239' ' ' THR . 25.7 p -116.7 -0.8 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 7.2 p -144.93 153.84 41.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -91.99 167.27 12.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.665 ' CD1' HD13 ' A' ' 247' ' ' ILE . 2.3 tm? -55.98 -48.3 76.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.227 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -49.14 -47.23 45.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.82 -35.28 77.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . 0.467 ' HG3' ' CG ' ' A' ' 181' ' ' PRO . 24.3 mm100 -64.21 -58.65 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.861 HD11 HG21 ' A' ' 180' ' ' THR . 0.9 OUTLIER -58.75 -39.2 76.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.62 57.72 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.718 ' CZ2' HD13 ' A' ' 256' ' ' ILE . 0.0 OUTLIER -65.67 -31.57 72.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 2.8 mtm -68.54 -22.78 64.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.9 p -118.09 21.97 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.1 OUTLIER -81.54 173.39 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 4.2 m120 -121.92 111.35 32.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -75.05 159.25 98.24 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.018 0.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.453 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -74.93 119.95 5.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . 0.718 HD13 ' CZ2' ' A' ' 249' ' ' TRP . 6.0 mt -95.44 128.57 37.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.45 4.26 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.559 1.821 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.485 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.5 OUTLIER -60.48 -44.78 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.21 -34.49 88.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -32.36 71.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 0.741 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.541 HG21 HD13 ' A' ' 236' ' ' ILE . 10.5 mt -63.61 -46.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . 0.593 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 12.3 t80 -65.67 -37.96 87.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -60.97 -45.59 94.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.413 ' N ' ' HD2' ' A' ' 263' ' ' LYS . 2.4 ttt180 -64.44 -31.53 72.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 110.226 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.452 ' CH2' ' HB ' ' A' ' 236' ' ' ILE . 46.5 m0 -61.94 -47.48 84.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.019 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.85 ' HA ' HD11 ' A' ' 205' ' ' ILE . 81.6 mt -57.38 -44.78 84.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -35.45 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -54.35 48.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.734 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.36 -60.27 8.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.808 ' CD1' HG22 ' A' ' 266' ' ' ILE . 13.2 mt -45.21 -32.35 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -46.85 84.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 269' ' ' GLY . 16.4 tttt -69.09 -37.58 78.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 0.849 HD11 ' HB2' ' A' ' 201' ' ' LEU . 52.5 mt -62.97 -40.98 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.501 HG22 ' N ' ' A' ' 165' ' ' SER . 22.2 t -71.83 -44.98 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -58.85 -16.36 16.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.75 -37.84 11.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.182 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.47 17.73 15.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.03 150.15 92.45 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 57.36 4.56 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.444 1.76 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 281' ' ' SER . 4.2 t -173.0 -49.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . 0.411 ' N ' HG23 ' A' ' 280' ' ' THR . 6.2 t 65.35 141.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -152.48 148.71 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . 0.505 HD23 ' H ' ' A' ' 283' ' ' LEU . 1.7 pt? -117.98 156.38 28.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -123.99 119.61 30.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.45 1.093 . . . . 0.0 109.655 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -42.28 151.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.568 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -79.96 152.45 29.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.631 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.1 173.22 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.619 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 66.47 134.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.602 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.611 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.14 103.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.02 142.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.13 142.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.599 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.7 p 177.83 100.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.975 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.955 HG11 HG21 ' A' ' 34' ' ' ILE . 3.0 t -157.5 -65.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.596 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -98.2 152.21 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.93 179.65 7.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.007 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.33 -57.91 17.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.564 1.165 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.71 -41.02 25.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.24 -38.93 81.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 0.807 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 9' ' ' SER . 5.3 tp -67.41 -42.82 82.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.55 -32.13 62.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -45.63 41.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.754 ' CH2' HG23 ' A' ' 81' ' ' THR . 68.4 t-105 -57.14 -48.19 79.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.019 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.8 -25.38 67.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -87.62 47.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.394 1.059 . . . . 0.0 109.366 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.9 mm -131.23 141.19 46.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -108.56 152.12 25.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.559 HD12 ' HB3' ' A' ' 26' ' ' LYS . 32.2 mt -109.19 -145.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -94.58 166.4 15.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 130.13 12.95 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.12 -1.12 60.65 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.25 -157.09 14.36 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.559 ' HB3' HD12 ' A' ' 21' ' ' LEU . 11.5 tptt -56.24 -34.11 66.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.63 0.841 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 5.9 tttt 81.06 -2.9 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.224 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.443 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 14.7 pt20 -172.78 155.68 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.508 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -81.72 153.21 26.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.0 169.56 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -61.04 -28.29 68.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -46.15 91.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -62.93 -35.71 80.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.637 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.955 HG21 HG11 ' A' ' 7' ' ' VAL . 3.5 mt -62.71 -49.46 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.93 -44.28 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.386 1.054 . . . . 0.0 109.332 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.402 ' CZ3' ' HB2' ' A' ' 78' ' ' LEU . 87.2 t90 -62.59 -40.04 95.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 107.997 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.618 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -58.93 -53.11 62.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.17 -34.87 74.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -41.06 94.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.52 -34.86 79.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.86 ' O ' HG12 ' A' ' 46' ' ' VAL . 47.0 mt -58.74 -49.46 77.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -56.93 -41.59 78.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -58.47 -38.15 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.536 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 8.2 t80 -75.98 -7.12 53.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 73.24 48.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.86 HG12 ' O ' ' A' ' 41' ' ' LEU . 10.5 p -124.97 150.08 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -64.11 131.1 94.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.86 18.34 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.93 -12.17 56.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.5 mt -72.64 -40.69 66.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.757 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.604 HD12 ' SG ' ' A' ' 57' ' ' CYS . 9.7 tp -68.57 -9.97 52.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.21 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.38 -22.06 32.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -125.71 152.01 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.455 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.502 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 33.8 t -66.46 -30.94 71.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.24 -49.9 67.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 60' ' ' ILE . . . -69.94 -36.07 72.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.604 ' SG ' HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -63.63 -42.59 98.15 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.549 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 1.4 ttp180 -59.98 -37.49 79.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.25 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -38.51 88.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 1.4 mp -63.28 -65.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.85 HD11 ' CE1' ' A' ' 79' ' ' TYR . 9.8 tp -51.7 -27.49 11.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.01 -48.58 25.89 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -90.8 16.22 9.72 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 0.79 . . . . 0.0 110.224 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.505 HD23 ' CD2' ' A' ' 79' ' ' TYR . 20.6 tp -111.95 -25.29 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.6 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.4 tm0? -52.85 -45.41 97.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.7 Cg_endo -74.95 -39.87 1.09 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.801 ' HA ' HG22 ' A' ' 70' ' ' THR . 67.3 m -68.48 -12.14 60.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.955 HD11 ' CG ' ' A' ' 79' ' ' TYR . 7.2 mt -71.21 -43.92 66.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.31 -6.67 49.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.37 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.801 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.54 -4.59 9.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.591 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -82.08 -99.86 0.44 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 14.4 p 167.84 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -41.41 87.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -71.58 -46.38 59.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.591 HD13 ' HA2' ' A' ' 71' ' ' GLY . 6.5 tt -59.3 -34.21 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.503 ' HA ' HD22 ' A' ' 68' ' ' LEU . 45.0 ttm180 -61.68 -47.81 83.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -36.38 65.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.946 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.641 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -60.31 -47.31 86.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.291 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.955 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.5 t80 -64.52 -42.15 95.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.557 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.1 t-20 -54.99 -33.19 62.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.754 HG23 ' CH2' ' A' ' 16' ' ' TRP . 2.6 m -70.36 -48.28 57.07 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.607 1.192 . . . . 0.0 110.405 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.404 HG22 ' HB2' ' A' ' 61' ' ' LEU . 5.5 mt -63.27 -32.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.96 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -59.63 -56.14 25.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.646 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.9 t -57.81 -42.22 81.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.624 HD12 ' CE3' ' A' ' 16' ' ' TRP . 1.8 tp -56.7 -46.51 81.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.549 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 49.0 t80 -59.75 -33.9 72.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.529 ' SG ' HG11 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -72.67 -35.77 67.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 108.257 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.9 t -65.35 -32.95 60.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 17.7 m-70 -69.14 -38.99 79.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.635 ' CB ' HD11 ' A' ' 92' ' ' ILE . 0.3 OUTLIER -84.88 -20.09 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' CYS . 25.6 ttt180 71.47 47.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.635 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.7 mp -86.25 141.74 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -62.22 105.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.529 HG11 ' SG ' ' A' ' 87' ' ' CYS . 31.1 m -134.38 173.01 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.46 -48.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.81 171.2 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.557 HG22 ' CG ' ' A' ' 80' ' ' ASN . 55.6 m -59.65 -46.83 87.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 110.388 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -31.16 69.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -68.41 -36.26 78.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.865 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.4 -47.22 64.86 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 97' ' ' THR . 1.2 mm? -55.71 -37.69 68.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.9 -47.67 36.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.42 ' HG2' HG22 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -64.47 -57.79 8.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.96 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 2.1 pt -54.88 -30.49 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -69.04 -53.95 17.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -51.79 68.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -53.23 -52.61 58.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.208 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -55.0 -52.48 62.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -53.03 -44.01 67.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -58.99 -57.62 12.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.375 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.43 -46.17 26.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.01 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.85 -55.32 23.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -56.62 16.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -44.51 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.44 -45.98 90.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -56.95 -60.48 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.349 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.503 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 18.9 pt20 -53.07 -45.94 68.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.401 ' N ' ' HG3' ' A' ' 117' ' ' GLN . . . -53.39 -56.46 16.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 122' ' ' THR . . . -43.54 -34.78 1.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -73.74 -60.51 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' THR . 0.4 OUTLIER -47.16 -65.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 109.224 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 119' ' ' ALA . 2.0 p 38.03 69.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -157.15 164.5 32.88 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.475 1.11 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 173.82 167.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.303 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -52.58 167.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.239 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.8 170.48 21.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.107 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.02 170.42 14.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -141.58 176.35 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.97 170.48 12.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -143.86 171.45 14.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -140.01 167.81 21.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.517 ' CG ' ' HD2' ' A' ' 133' ' ' PRO . 0.5 OUTLIER -132.59 155.76 80.86 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 132' ' ' TYR . 18.4 Cg_endo -74.96 179.7 5.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 111.077 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 3.6 tp -173.96 148.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 66.3 t 63.48 140.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -173.24 171.38 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 174.51 167.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.395 1.06 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.5 pp -175.32 160.87 2.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.373 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 179.14 159.11 0.62 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -160.62 162.18 33.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.412 1.07 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.14 147.96 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -155.02 167.73 29.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.6 p -160.27 148.05 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.621 ' CD2' ' CG2' ' A' ' 247' ' ' ILE . 5.3 m-70 -87.49 142.62 27.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.64 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.9 148.38 28.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.36 -176.48 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.763 HD12 ' OD1' ' A' ' 183' ' ' ASP . 1.0 OUTLIER -86.33 143.12 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.05 160.22 52.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.59 1.181 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -23.05 14.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.5 -37.31 86.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.735 ' OG1' HD21 ' A' ' 175' ' ' LEU . 0.6 OUTLIER -67.18 -36.77 82.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.968 HD21 HG22 ' A' ' 186' ' ' THR . 26.9 mt -65.61 -42.83 91.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -43.68 80.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.18 77.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.429 ' CE2' HG23 ' A' ' 159' ' ' VAL . 33.1 t-105 -62.27 -46.92 86.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.921 HG23 ' O ' ' A' ' 152' ' ' LEU . 40.7 t -48.28 -43.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -61.51 -36.94 81.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 1.106 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.83 -37.64 73.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.502 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 15.9 t -68.92 -34.52 64.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.09 -40.0 60.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.42 -76.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.704 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 3.0 mmpt? -69.23 -70.9 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.34 -48.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 277' ' ' TYR . 23.6 p90 -162.29 126.68 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.524 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -178.27 170.1 0.86 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.026 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -18.95 18.48 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.561 1.821 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.89 1.54 55.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -104.98 -33.88 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.2 mm -55.76 -44.52 99.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.01 -35.82 2.9 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.42 1.747 . . . . 0.0 111.083 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.27 -39.67 93.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.489 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 39.8 t80 -66.37 -29.75 69.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.6 p -73.18 -27.08 61.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.45 -45.56 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.735 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -76.64 -30.39 56.82 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.573 ' HB2' HD21 ' A' ' 184' ' ' LEU . 59.5 p -97.42 13.94 28.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.939 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -41.96 104.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.218 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.23 73.24 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.44 ' HB3' ' HG ' ' A' ' 184' ' ' LEU . . . -104.13 -174.39 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 0.798 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.902 HG21 HD11 ' A' ' 247' ' ' ILE . 1.9 p -103.73 -179.18 0.73 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 110.438 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -38.83 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.58 -36.65 76.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.763 ' OD1' HD12 ' A' ' 147' ' ' ILE . 3.9 t0 -76.7 -48.67 18.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.229 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.573 HD21 ' HB2' ' A' ' 176' ' ' SER . 32.4 mt -59.61 -47.72 84.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -55.46 -36.23 66.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.968 HG22 HD21 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -64.64 -46.89 80.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.434 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.568 ' O ' HG22 ' A' ' 190' ' ' THR . 1.7 ttp -63.36 -45.38 91.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 111.027 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.693 HD22 ' HE1' ' A' ' 198' ' ' MET . 13.1 mt -71.11 -18.94 62.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.03 -45.55 33.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 187' ' ' MET . 13.1 t -71.03 -17.48 62.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.591 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -51.12 -179.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.466 ' H ' HG22 ' A' ' 191' ' ' VAL . . . 171.15 59.6 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.549 1.156 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -97.21 -52.77 1.43 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.13 130.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 0.785 . . . . 0.0 109.625 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -57.49 -39.72 77.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.97 -49.43 75.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.498 ' HB1' ' CG2' ' A' ' 273' ' ' ILE . . . -59.44 -49.39 77.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.693 ' HE1' HD22 ' A' ' 188' ' ' LEU . 3.7 mmt -58.05 -33.26 68.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -54.44 41.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.231 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -43.85 98.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.717 HD12 ' HA3' ' A' ' 269' ' ' GLY . 2.9 tp -57.61 -37.15 72.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -68.16 -36.84 80.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.367 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.93 -46.46 74.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.54 -48.97 70.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.893 HD11 ' HA ' ' A' ' 266' ' ' ILE . 14.0 mt -58.86 -53.46 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -58.12 -39.01 77.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.22 -29.8 70.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . 0.425 ' HB3' ' CE2' ' A' ' 265' ' ' TRP . 0.0 OUTLIER -66.79 -36.9 83.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.552 ' HB1' ' HA3' ' A' ' 233' ' ' GLY . . . -70.69 -49.76 43.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.92 75.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -34.42 76.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . 0.401 ' CE2' ' CD2' ' A' ' 216' ' ' HIS . 74.1 t-105 -60.48 -64.86 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -56.16 -33.17 64.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -40.05 88.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.336 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.602 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.5 pp -93.53 3.48 55.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.236 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . 0.401 ' CD2' ' CE2' ' A' ' 212' ' ' TRP . 0.2 OUTLIER -111.62 97.22 35.99 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.539 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 109.93 3.02 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 0.403 HG12 ' HG3' ' A' ' 230' ' ' GLU . 29.8 m -92.8 60.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -169.32 77.61 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.604 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -178.05 96.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 91.05 139.69 8.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.572 1.17 . . . . 0.0 111.064 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 152.38 40.99 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.604 HD13 ' N ' ' A' ' 224' ' ' ALA . 0.3 OUTLIER -59.31 125.97 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.925 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -57.16 154.1 22.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 110.38 3.11 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.445 1.761 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 95.7 -24.02 31.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.157 . . . . 0.0 111.061 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.925 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 34.3 mt-30 -72.26 170.1 14.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.551 ' HG2' ' CD1' ' A' ' 249' ' ' TRP . 2.7 tpp -108.35 120.32 42.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 0.459 ' CZ ' ' HB ' ' A' ' 223' ' ' ILE . 2.4 ttt180 -48.81 177.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.403 ' HG3' HG12 ' A' ' 218' ' ' VAL . 0.1 OUTLIER -104.31 105.63 50.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.584 ' HD2' ' CH2' ' A' ' 249' ' ' TRP . 18.3 Cg_endo -74.92 -168.6 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -108.44 176.91 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.552 ' HA3' ' HB1' ' A' ' 209' ' ' ALA . . . -59.87 -37.29 92.34 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 13.6 m -60.11 -29.53 68.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.944 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.3 OUTLIER -74.44 -35.97 63.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.709 HD13 HG21 ' A' ' 261' ' ' ILE . 32.3 mt -60.62 -29.61 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.29 62.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 84.29 23.0 53.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.45 -38.26 13.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 110.41 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 240' ' ' THR . 14.5 m -104.06 -0.54 28.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.408 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . 0.407 ' CB ' ' OD1' ' A' ' 235' ' ' ASP . 2.6 t -135.95 138.35 42.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.33 174.88 8.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.363 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.647 HD13 ' CG1' ' A' ' 247' ' ' ILE . 2.9 tm? -66.27 -59.9 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -49.36 -24.36 1.88 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.93 -49.59 43.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . 0.44 ' OE1' HG13 ' A' ' 258' ' ' VAL . 24.9 mt-30 -69.5 -41.65 75.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.902 HD11 HG21 ' A' ' 180' ' ' THR . 47.5 mm -51.02 -58.54 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.42 ' O ' ' CD2' ' A' ' 252' ' ' HIS . . . -60.19 -44.41 97.43 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.869 ' CZ3' HG21 ' A' ' 256' ' ' ILE . 0.3 OUTLIER -56.0 -31.48 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 7.9 ttm -70.05 -38.86 75.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . 0.4 HG22 ' HA2' ' A' ' 248' ' ' GLY . 14.3 t -105.3 22.38 15.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 255' ' ' PRO . 0.6 OUTLIER -85.0 171.8 11.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 66.6 m-80 -121.94 111.2 32.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.1 Cg_endo -75.05 159.21 98.29 Favored 'Cis proline' 0 C--N 1.359 1.082 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.944 0.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . 0.869 HG21 ' CZ3' ' A' ' 249' ' ' TRP . 1.5 mt -95.17 116.37 66.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 54.96 3.83 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.448 1.762 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.633 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.8 OUTLIER -55.76 -40.36 60.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.27 -40.49 98.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.15 -32.35 70.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 110.336 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.709 HG21 HD13 ' A' ' 236' ' ' ILE . 73.0 mt -64.71 -46.6 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -74.77 -39.09 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.483 ' CE ' HD13 ' A' ' 267' ' ' ILE . 0.4 OUTLIER -61.29 -45.6 93.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -62.6 -33.07 74.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.566 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 51.3 m0 -61.97 -47.87 82.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.893 ' HA ' HD11 ' A' ' 205' ' ' ILE . 77.6 mt -57.77 -45.08 87.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.483 HD13 ' CE ' ' A' ' 263' ' ' LYS . 0.8 OUTLIER -59.96 -35.61 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -54.85 42.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.717 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.14 -59.35 9.65 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.83 HD11 HG22 ' A' ' 266' ' ' ILE . 13.6 mt -44.35 -33.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -63.78 -46.47 85.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 269' ' ' GLY . 4.2 tttt -67.9 -37.5 81.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 0.697 HD11 ' HB2' ' A' ' 201' ' ' LEU . 49.8 mt -62.9 -43.02 98.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 165' ' ' SER . 24.8 t -68.99 -46.0 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -58.59 -16.47 15.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 4.2 ttt -93.62 -37.8 11.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 0.554 ' HB3' ' CD1' ' A' ' 164' ' ' PHE . 0.2 OUTLIER -96.77 18.08 15.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 153.13 92.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.99 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.428 1.751 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 3.0 m -131.21 121.17 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 91.4 p -113.68 167.22 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 1.8 tp -131.93 147.67 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.71 158.8 17.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -176.84 137.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.64 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -177.29 172.59 1.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.92 132.58 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -176.78 151.7 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.403 1.065 . . . . 0.0 109.656 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.01 133.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.588 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.64 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 4' ' ' ARG . . . -177.25 154.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 3' ' ' ALA . 0.6 OUTLIER -38.95 153.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 54.59 176.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.451 ' O ' HG23 ' A' ' 7' ' ' VAL . 6.8 m 69.81 93.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.007 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.04 HG11 HG21 ' A' ' 34' ' ' ILE . 37.0 t -153.22 -64.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.603 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -103.66 155.15 18.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.238 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.86 179.95 7.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.434 1.084 . . . . 0.0 109.975 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.59 -58.03 16.73 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.93 -40.67 20.59 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.78 -39.9 82.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 0.796 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 31' ' ' LEU . 4.0 tp -67.7 -44.18 78.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -55.86 -37.08 68.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.241 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -70.31 -45.42 66.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.633 ' CE3' ' CD1' ' A' ' 85' ' ' LEU . 39.1 t-105 -56.29 -53.25 59.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -63.02 -15.78 57.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.54 10.83 14.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 2.4 mm -95.03 144.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.462 ' O ' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -108.96 156.78 19.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -137.68 -143.63 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.199 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.483 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 167.71 -53.95 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.04 128.4 11.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.788 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.76 -0.74 61.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.567 1.167 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.25 104.55 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.703 ' HB3' HD12 ' A' ' 21' ' ' LEU . 1.3 tppt? -176.48 -70.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 1.1 tttt 81.08 -1.9 1.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 25.8 tt0 -165.48 143.2 5.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.693 ' CD2' HD21 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -87.64 151.05 23.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -143.02 172.39 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.41 -27.82 68.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -45.71 92.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.406 ' CE1' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -63.85 -36.01 82.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.6 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.04 HG21 HG11 ' A' ' 7' ' ' VAL . 4.3 mt -63.66 -50.17 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.92 -43.35 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -62.82 -40.61 97.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 107.981 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.788 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.4 -52.56 65.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.365 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.466 ' HA ' HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -61.55 -34.83 76.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -60.91 -41.04 95.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.326 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -64.63 -36.77 85.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.891 ' O ' HG12 ' A' ' 46' ' ' VAL . 85.5 mt -59.21 -47.48 85.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -57.1 -39.57 75.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -58.15 -38.73 77.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.485 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 27.2 t80 -76.34 -2.81 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 70.72 47.0 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.571 1.169 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.891 HG12 ' O ' ' A' ' 41' ' ' LEU . 7.4 p -124.79 150.03 29.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -64.44 134.38 95.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -18.76 18.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.436 1.756 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.51 -12.36 55.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.496 HD12 HG22 ' A' ' 46' ' ' VAL . 25.0 mt -72.9 -32.86 65.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.495 HD11 ' CD2' ' A' ' 85' ' ' LEU . 10.5 tp -77.87 -16.01 58.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.47 -22.19 54.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.3 p -125.87 152.59 45.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.473 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 1.9 t -67.19 -30.48 70.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.9 -49.81 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.545 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -63.92 -35.06 91.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.413 ' SG ' HD12 ' A' ' 51' ' ' LEU . 3.7 m -63.89 -41.05 97.8 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.0 ttp85 -59.91 -37.8 80.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -65.69 -37.58 86.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.811 HG21 HD13 ' A' ' 82' ' ' ILE . 1.5 mp -75.03 -75.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' A' ' 79' ' ' TYR . 11.5 tp -41.67 -34.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.58 -49.32 74.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.8 OUTLIER -97.6 23.14 8.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.54 HD21 ' CD1' ' A' ' 78' ' ' LEU . 15.0 tp -111.13 -25.68 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.604 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.8 tm0? -53.11 -45.13 98.4 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.9 -40.3 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.822 ' HA ' HG22 ' A' ' 70' ' ' THR . 19.3 m -68.58 -11.7 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.977 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.7 mt -71.2 -43.71 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -73.72 -7.19 51.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.822 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.4 t -120.84 -4.93 9.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.587 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -80.63 -98.72 0.34 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.475 1.109 . . . . 0.0 111.066 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.476 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 23.9 p 165.85 -176.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 0.0 110.034 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -41.36 88.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 12.4 pt-20 -71.33 -46.05 61.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.587 HD13 ' HA2' ' A' ' 71' ' ' GLY . 6.7 tt -59.98 -34.33 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.501 ' HA ' HD22 ' A' ' 68' ' ' LEU . 75.1 ttt180 -61.01 -48.96 79.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.223 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -37.25 65.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.054 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.637 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -59.77 -47.21 86.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.977 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.9 t80 -65.8 -37.63 86.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.621 ' OD1' HG22 ' A' ' 97' ' ' THR . 0.2 OUTLIER -62.94 -32.03 73.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.788 HG21 ' HB2' ' A' ' 37' ' ' ALA . 1.8 m -70.18 -48.17 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.435 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.811 HD13 HG21 ' A' ' 60' ' ' ILE . 62.9 mt -64.06 -40.55 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.957 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -53.05 -56.59 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.641 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.9 t -58.26 -42.24 83.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.633 ' CD1' ' CE3' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -56.86 -36.69 70.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -59.69 -50.49 73.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.471 ' HB3' HG11 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -62.94 -37.02 85.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.3 t -63.66 -38.2 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 4.3 m-70 -58.03 -40.23 80.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.485 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -91.54 -7.45 50.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 65.31 40.87 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.485 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.5 mp -75.88 141.24 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.96 91.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.239 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 87' ' ' CYS . 29.3 m -110.89 173.41 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -137.37 -77.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.33 170.95 7.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.621 HG22 ' OD1' ' A' ' 80' ' ' ASN . 22.0 m -60.89 -43.05 99.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.371 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -31.69 72.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.13 -31.61 71.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.853 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -70.99 -40.94 71.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 1.9 mp -56.7 -48.0 78.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -72.18 -40.25 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -64.72 -62.48 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.957 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.6 pt -55.97 -28.05 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -68.4 -53.49 23.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -56.03 -51.97 65.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.78 -52.19 57.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -55.05 -52.74 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -53.02 -43.86 66.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -58.93 -55.6 33.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -50.51 48.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.046 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.22 -54.24 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -51.32 -53.64 33.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.65 -50.63 42.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.55 -54.38 38.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -50.29 -50.13 51.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -54.65 -54.74 37.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 122' ' ' THR . . . -52.97 -42.03 65.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.37 90.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.42 8.42 19.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.605 1.19 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -100.64 -55.49 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 118' ' ' ALA . 77.3 p -38.69 121.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -123.07 -61.71 0.2 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 63.74 130.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -174.4 167.8 3.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 80.8 p -158.99 164.31 35.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.85 162.8 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 110.348 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.3 p -162.73 160.14 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 109.273 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.57 143.47 0.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 179.76 166.49 1.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -173.98 143.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -144.57 93.42 5.77 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.468 1.105 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.61 34.99 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 111.042 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.774 HD13 ' N ' ' A' ' 135' ' ' VAL . 0.0 OUTLIER -169.9 128.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.774 ' N ' HD13 ' A' ' 134' ' ' ILE . 35.3 m -123.88 156.93 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.09 97.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 110.248 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.512 ' O ' HD22 ' A' ' 138' ' ' LEU . 16.8 p30 -83.23 131.16 35.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.512 HD22 ' O ' ' A' ' 137' ' ' ASN . 0.7 OUTLIER -133.19 63.86 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.4 1.062 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.03 158.83 30.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -145.57 62.03 0.47 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.22 162.89 25.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.34 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.47 101.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -101.06 146.56 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.89 142.35 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.577 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -82.33 147.88 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.85 175.23 8.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.506 HG12 HG21 ' A' ' 151' ' ' THR . 0.6 OUTLIER -92.57 143.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.04 159.98 53.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.952 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.01 14.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -65.83 -37.33 85.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.506 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -69.07 -32.54 72.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.925 ' O ' HG23 ' A' ' 156' ' ' VAL . 24.1 mt -63.7 -42.69 97.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -68.07 -44.5 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -57.38 -49.01 77.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.688 ' HE1' HG23 ' A' ' 191' ' ' VAL . 26.4 t-105 -62.15 -47.86 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 152' ' ' LEU . 36.1 t -45.62 -43.42 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.44 -36.73 83.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.674 HG11 ' HE2' ' A' ' 171' ' ' MET . 93.1 t -63.37 -44.83 99.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.515 HG22 ' CZ2' ' A' ' 155' ' ' TRP . 92.3 t -58.71 -46.35 90.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -30.61 71.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.72 -56.16 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.705 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -164.4 66.27 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.71 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -38.69 -49.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.402 ' CZ ' ' HA2' ' A' ' 193' ' ' GLY . 1.7 m-85 -110.25 121.83 46.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.586 ' O ' HG12 ' A' ' 168' ' ' VAL . 0.1 OUTLIER 172.98 168.78 0.25 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.982 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.12 18.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.604 1.844 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.77 1.75 53.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.71 HG11 ' O ' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -103.67 -33.9 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 18.5 mm -56.97 -44.49 99.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.0 Cg_endo -75.1 -35.96 2.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.586 1.835 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.674 ' HE2' HG11 ' A' ' 158' ' ' VAL . 1.6 mmm -62.2 -40.89 97.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.932 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 6.8 t80 -69.11 -44.4 72.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.8 p -58.9 -37.56 76.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.64 91.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.432 ' CD2' ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -74.21 -13.63 60.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.651 ' HB2' HD21 ' A' ' 184' ' ' LEU . 5.3 p -104.86 14.01 30.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.071 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.23 108.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 39.33 65.83 0.79 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.74 -178.03 3.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.832 HG21 HD11 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -115.25 -174.44 0.27 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.082 . . . . 0.0 110.393 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -41.63 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -34.22 73.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.25 -45.12 27.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.651 HD21 ' HB2' ' A' ' 176' ' ' SER . 19.9 mt -63.84 -40.58 96.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.02 -35.67 77.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.831 HG22 HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -60.86 -46.79 89.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.45 ' CG ' ' CD1' ' A' ' 155' ' ' TRP . 1.6 ttt -70.21 -40.89 74.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 2.5 mp -71.39 -12.82 61.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -84.73 -48.92 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.545 ' CG2' HD22 ' A' ' 152' ' ' LEU . 4.2 t -81.19 -0.89 42.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.384 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.897 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.9 OUTLIER -59.71 -176.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.565 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -159.21 53.22 0.37 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . 0.752 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -107.54 27.47 15.13 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 74.29 149.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 0.813 . . . . 0.0 109.626 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -37.99 73.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.216 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.42 76.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.752 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.18 -48.91 79.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.897 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.89 -37.83 74.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -54.5 31.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -58.67 -29.43 66.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 1.042 HD13 HD11 ' A' ' 273' ' ' ILE . 0.9 OUTLIER -67.0 -34.34 77.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 3.6 tptm -68.92 -31.22 69.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.23 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 0.4 OUTLIER -67.22 -46.77 72.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -48.7 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.775 HD11 ' HA ' ' A' ' 266' ' ' ILE . 17.3 mt -58.73 -55.03 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 36.8 t-20 -57.87 -40.0 79.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 5.5 mm-40 -65.65 -29.46 70.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 212' ' ' TRP . 0.4 OUTLIER -67.94 -29.35 68.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.843 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -73.2 -50.21 23.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.16 81.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -65.23 -40.71 94.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . 0.491 ' CB ' ' O ' ' A' ' 208' ' ' GLU . 43.6 t-105 -57.66 -59.93 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 108.025 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.1 -33.07 64.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -59.16 -35.33 73.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 110.293 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.69 -1.63 22.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 212' ' ' TRP . 13.3 t60 -111.34 100.9 49.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.571 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 218' ' ' VAL . 18.2 Cg_endo -75.04 121.18 6.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.418 1.747 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 0.673 HG13 ' HG2' ' A' ' 230' ' ' GLU . 2.9 t -39.69 130.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . 0.693 ' O ' ' HB3' ' A' ' 220' ' ' ALA . 0.4 OUTLIER -127.45 -176.97 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.075 . . . . 0.0 109.591 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 219' ' ' HIS . . . 83.58 179.59 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -80.41 -142.77 3.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -174.76 2.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.786 HD12 ' O ' ' A' ' 228' ' ' MET . 0.5 OUTLIER -132.99 122.05 45.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -50.33 149.38 5.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 95.12 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 113.58 -5.26 24.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.889 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 1.6 tp60 -91.55 -160.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 110.334 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.786 ' O ' HD12 ' A' ' 223' ' ' ILE . 4.8 tpp -52.09 -173.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -153.08 53.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.341 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.673 ' HG2' HG13 ' A' ' 218' ' ' VAL . 0.4 OUTLIER 72.7 152.56 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.839 ' HB3' HG21 ' A' ' 256' ' ' ILE . 18.1 Cg_endo -75.07 71.97 4.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.41 176.77 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.843 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -77.38 -38.87 27.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.558 1.162 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . 0.646 ' O ' HG22 ' A' ' 239' ' ' THR . 6.3 m -68.3 -47.38 67.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 110.054 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . 0.413 ' OD1' ' HB ' ' A' ' 240' ' ' THR . 0.3 OUTLIER -59.76 -42.34 93.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.847 HG12 HG22 ' A' ' 258' ' ' VAL . 27.2 mt -60.62 -27.79 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -70.9 -21.83 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.38 20.12 30.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 234' ' ' SER . 14.6 t -90.13 -37.67 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . 0.413 ' HB ' ' OD1' ' A' ' 235' ' ' ASP . 20.5 m -101.75 -0.96 33.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.571 1.17 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 4.7 t -145.68 152.54 39.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.043 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.589 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -91.37 175.98 6.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.402 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.598 ' CD1' HD13 ' A' ' 247' ' ' ILE . 3.1 tm? -58.44 -59.13 5.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.57 -50.12 43.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.364 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.483 ' O ' ' HE1' ' A' ' 228' ' ' MET . 0.4 OUTLIER -61.24 -31.58 71.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . 0.848 ' HG3' HG11 ' A' ' 258' ' ' VAL . 1.9 tp60 -69.56 -70.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.832 HD11 HG21 ' A' ' 180' ' ' THR . 0.8 OUTLIER -40.54 -38.66 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.67 -51.42 58.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.673 ' CE3' ' CE ' ' A' ' 228' ' ' MET . 0.7 OUTLIER -61.33 -37.7 84.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 11.3 mtm -61.06 -23.38 65.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.7 p -118.14 22.32 12.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.584 ' CE1' ' CZ3' ' A' ' 249' ' ' TRP . 0.1 OUTLIER -81.41 172.79 13.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.569 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.439 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 1.8 m-20 -122.41 111.01 31.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -75.07 159.15 98.36 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.97 -2.512 . . . . 0.0 111.0 0.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -74.93 119.83 5.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.79 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . 0.839 HG21 ' HB3' ' A' ' 231' ' ' PRO . 7.8 mt -88.94 134.28 33.82 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 256' ' ' ILE . 18.5 Cg_endo -74.97 57.93 4.71 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.848 HG11 ' HG3' ' A' ' 246' ' ' GLN . 2.6 t -62.41 -65.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.06 -33.67 84.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -69.34 -32.33 71.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.688 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 10.1 mt -75.32 -45.32 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . 0.549 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.1 t80 -64.19 -47.37 80.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.49 -38.76 72.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.334 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 2.5 mtt180 -66.29 -33.17 75.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.688 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 52.0 m0 -61.92 -45.06 95.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.06 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.932 HG21 ' CZ ' ' A' ' 172' ' ' PHE . 87.6 mt -57.16 -46.65 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -28.75 41.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -57.04 13.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.533 ' C ' HD11 ' A' ' 201' ' ' LEU . . . -62.15 -56.87 19.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.432 1.083 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.909 HD11 HG22 ' A' ' 266' ' ' ILE . 12.1 mt -45.08 -36.62 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -63.03 -42.1 99.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.5 OUTLIER -67.48 -38.9 85.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 1.042 HD11 HD13 ' A' ' 201' ' ' LEU . 34.2 mt -60.67 -45.77 96.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 270' ' ' LEU . 59.8 t -63.71 -46.03 95.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -59.73 -16.4 27.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 7.7 tpt -97.48 -37.89 9.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.05 17.29 12.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.054 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.01 150.11 92.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.17 4.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 67.4 p -60.58 121.31 11.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.385 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.73 164.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -173.9 140.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.25 129.04 6.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.62 171.52 19.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.592 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -157.56 171.67 19.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.53 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -152.18 174.55 13.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.591 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 288' ' ' HIS . 7.6 p80 -175.8 152.81 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 287' ' ' HIS . 14.9 m80 -157.47 167.15 31.04 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.632 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.576 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.706 ' N ' ' HG ' ' A' ' 38' ' ' SER . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -177.92 -59.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.36 170.81 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.249 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.0 -164.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 7' ' ' VAL . 4.0 m 77.29 95.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.017 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.051 HG11 HG21 ' A' ' 34' ' ' ILE . 22.9 t -154.31 -67.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.617 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.6 mt -103.66 152.11 22.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.16 179.51 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.28 -58.41 14.57 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.33 -41.14 26.64 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.95 -40.11 83.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 0.712 . . . . 0.0 110.323 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 31' ' ' LEU . 5.2 tp -66.02 -44.12 85.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.07 -33.06 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.95 -45.42 50.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.665 ' CE3' HD12 ' A' ' 85' ' ' LEU . 33.5 t-105 -56.53 -51.84 67.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -26.59 62.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.42 47.27 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.543 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.9 mm -130.91 134.53 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -91.35 126.9 36.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.655 HD23 ' N ' ' A' ' 21' ' ' LEU . 2.0 mt -66.29 -127.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.5 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 170.56 -54.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.5 Cg_endo -74.93 124.96 9.04 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.446 1.761 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.77 -0.83 61.16 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.447 1.092 . . . . 0.0 111.028 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.87 -109.72 0.6 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.23 60.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 0.782 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -90.76 -161.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' C ' HD21 ' A' ' 21' ' ' LEU . 30.3 pt20 -118.3 163.29 16.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.568 ' N ' HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -86.96 148.62 25.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.32 173.31 11.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.608 HD13 HD11 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -61.77 -26.99 68.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -61.72 -44.08 97.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -35.82 82.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.626 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.051 HG21 HG11 ' A' ' 7' ' ' VAL . 4.6 mt -63.6 -50.1 79.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.7 -43.98 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -62.77 -39.88 95.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 107.972 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.774 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.12 -53.03 63.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.832 ' HA ' HD12 ' A' ' 41' ' ' LEU . 3.9 t -62.46 -34.89 77.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.928 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -41.2 94.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.07 -34.92 79.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.935 ' O ' HG12 ' A' ' 46' ' ' VAL . 46.8 mt -58.02 -50.01 74.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.22 -41.41 79.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.425 1.078 . . . . 0.0 110.338 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -58.22 -37.57 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.469 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 14.4 t80 -75.99 0.15 19.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 69.82 44.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.935 HG12 ' O ' ' A' ' 41' ' ' LEU . 6.7 p -124.97 150.01 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -64.39 129.78 94.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.73 18.47 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.14 -10.06 58.56 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 26.4 mt -72.9 -38.58 66.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.499 HD11 ' CD2' ' A' ' 85' ' ' LEU . 9.2 tp -69.12 -8.93 49.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.43 -21.79 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -125.66 156.44 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.396 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.402 ' HA ' ' SG ' ' A' ' 57' ' ' CYS . 95.0 p -70.03 -29.9 67.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -36.74 72.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.687 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -71.81 -43.43 50.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.586 1.179 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.402 ' SG ' ' HA ' ' A' ' 54' ' ' SER . 13.2 p -67.81 -36.16 79.9 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -60.04 -37.55 80.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -69.94 -30.15 67.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.724 HG12 HD22 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -74.6 -75.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.628 ' N ' HG22 ' A' ' 60' ' ' ILE . 10.5 tp -44.21 -36.2 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.31 -49.19 81.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -97.3 21.1 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 110.224 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.492 HD23 ' CD2' ' A' ' 79' ' ' TYR . 13.5 tp -106.63 -25.63 11.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.609 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 7.7 tm0? -53.25 -45.03 98.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.01 -40.6 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.808 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.43 -11.8 60.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.022 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.943 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.2 mt -70.86 -44.1 67.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -7.33 52.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.808 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.8 t -119.82 -5.64 10.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.682 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -80.71 -98.22 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 24.6 p 167.01 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.746 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -61.06 -40.74 94.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 110.235 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -46.93 59.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.682 HD13 ' CA ' ' A' ' 71' ' ' GLY . 8.1 tt -60.72 -34.49 74.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.53 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.22 -43.85 98.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.174 . . . . 0.0 110.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.43 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 7.4 t -61.54 -30.51 70.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.048 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -66.37 -45.93 78.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.943 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -60.54 -42.3 96.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.529 ' ND2' ' C ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -57.69 -36.7 72.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.774 HG21 ' HB2' ' A' ' 37' ' ' ALA . 80.8 m -62.96 -48.38 79.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.478 HD13 ' CG2' ' A' ' 60' ' ' ILE . 7.4 mt -66.36 -36.33 77.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.909 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -56.6 -59.95 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.9 t -58.11 -41.52 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.665 HD12 ' CE3' ' A' ' 16' ' ' TRP . 1.5 mp -56.82 -34.98 68.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -62.48 -47.12 85.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -37.34 85.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.4 t -64.28 -41.66 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -55.79 -40.22 72.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.636 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.455 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 1.6 mm-40 -86.8 -18.33 31.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.402 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.3 OUTLIER 78.08 37.42 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.455 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.4 mp -75.83 141.23 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.95 95.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.427 ' CG2' HD11 ' A' ' 19' ' ' ILE . 7.6 m -110.94 173.65 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -147.01 -51.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.23 170.38 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.519 HG23 HD22 ' A' ' 80' ' ' ASN . 1.3 m -60.39 -45.15 94.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -31.59 69.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.55 -40.59 93.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.821 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.94 -38.53 76.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 1.4 mp -56.68 -46.75 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.5 -41.77 65.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.604 1.19 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -63.32 -62.51 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.909 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.6 pt -56.22 -28.95 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -56.75 -53.95 51.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.33 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -59.17 -48.75 80.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.02 -50.94 60.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.367 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.22 -54.89 37.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' A' ' 113' ' ' LYS . 9.2 t30 -54.49 -36.18 63.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -61.96 -51.73 66.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.51 -65.57 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.444 ' CG ' ' HA ' ' A' ' 109' ' ' ASN . 0.0 OUTLIER -43.58 -40.77 4.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 13.0 tmtt? -60.19 -59.06 6.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -48.59 -49.62 36.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.45 -55.51 24.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -50.3 -49.73 52.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.502 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -48.68 -47.15 40.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.26 -58.39 6.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -42.04 -32.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -66.82 -57.35 7.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' THR . 3.2 t70 -92.71 33.06 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' ASP . 1.2 m -38.52 105.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.435 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.22 93.42 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.108 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 40.65 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.263 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.6 t30 175.99 163.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 109.233 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.87 119.82 38.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -175.43 164.31 3.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 129' ' ' SER . 7.8 p -174.45 166.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.41 ' N ' HG22 ' A' ' 128' ' ' VAL . 0.4 OUTLIER -179.99 154.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -176.73 162.22 2.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -176.38 159.43 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.53 ' O ' ' CG ' ' A' ' 132' ' ' TYR . 11.4 p90 -170.76 93.58 0.46 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.13 4.7 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.3 tt -158.29 172.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.7 p -166.71 140.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -117.93 171.38 8.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -154.39 167.8 28.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.367 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.5 pp -147.23 150.63 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -149.38 170.53 18.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -109.47 -161.18 19.23 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -139.06 155.54 47.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 0.776 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.86 162.27 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.64 177.4 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 109.292 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.95 142.41 35.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.626 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.2 129.23 34.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.98 -177.57 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.919 HD12 ' OD1' ' A' ' 183' ' ' ASP . 1.3 tt -80.65 135.16 25.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.651 ' O ' HG22 ' A' ' 151' ' ' THR . 0.0 OUTLIER -87.04 167.13 22.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.14 9.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -37.2 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 148' ' ' SER . 1.5 t -67.14 -32.35 73.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.45 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.917 ' O ' HG23 ' A' ' 156' ' ' VAL . 29.1 mt -69.44 -43.48 73.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -67.74 -43.9 78.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -59.14 -48.91 79.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.526 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 51.7 t-105 -61.99 -45.63 92.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 152' ' ' LEU . 24.3 t -47.25 -43.55 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -68.28 -35.95 78.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 154' ' ' ALA . 75.7 t -63.56 -39.87 86.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.978 HG13 ' HB2' ' A' ' 163' ' ' ALA . 93.4 t -59.87 -46.42 93.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -58.36 -33.55 69.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.253 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.78 -44.4 77.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 163' ' ' ALA . 2.7 mttp 172.42 73.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.978 ' HB2' HG13 ' A' ' 159' ' ' VAL . . . -37.69 -49.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 164' ' ' PHE . 11.5 p90 -107.61 127.99 54.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.529 ' N ' ' CG1' ' A' ' 168' ' ' VAL . 0.0 OUTLIER 170.41 166.38 0.2 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -17.73 19.49 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.416 ' C ' ' HD2' ' A' ' 170' ' ' PRO . 73.8 mt-10 -92.06 -17.66 24.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 165' ' ' SER . 13.8 p -97.09 -34.22 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.701 HG13 HG21 ' A' ' 274' ' ' VAL . 0.8 OUTLIER -48.35 -48.45 66.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.02 -35.15 3.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.459 ' SD ' HG11 ' A' ' 158' ' ' VAL . 0.1 OUTLIER -61.97 -31.85 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.018 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.725 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 5.7 t80 -72.36 -44.41 62.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -31.53 65.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.48 -45.27 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.507 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -72.14 -9.92 59.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.555 ' OG ' HD21 ' A' ' 184' ' ' LEU . 12.5 t -111.4 14.01 21.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.71 122.02 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.65 56.6 1.62 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.992 ' HB1' ' OD2' ' A' ' 183' ' ' ASP . . . -103.67 -175.6 2.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.948 HG21 HD11 ' A' ' 247' ' ' ILE . 0.7 OUTLIER -113.69 178.39 0.98 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 110.401 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.517 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.0 Cg_endo -75.06 -37.75 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.408 ' CB ' HD23 ' A' ' 243' ' ' LEU . 50.8 tp60 -70.45 -58.47 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.992 ' OD2' ' HB1' ' A' ' 179' ' ' ALA . 0.0 OUTLIER -48.83 -46.2 41.65 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 1.182 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.555 HD21 ' OG ' ' A' ' 176' ' ' SER . 55.1 mt -60.48 -43.42 96.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.222 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -33.04 62.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.779 ' CG2' HD21 ' A' ' 152' ' ' LEU . 0.4 OUTLIER -66.7 -47.85 71.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.458 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.526 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -62.3 -45.24 94.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.612 HD22 ' CE ' ' A' ' 198' ' ' MET . 13.8 mt -64.49 -22.01 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -75.73 -47.5 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 15.3 t -78.13 -1.01 30.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.444 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.756 HG11 ' HE2' ' A' ' 198' ' ' MET . 0.5 OUTLIER -59.96 -176.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.267 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.687 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -170.76 55.85 0.19 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -108.46 27.89 12.81 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.431 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 2.0 t-160 83.77 132.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.596 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -59.13 -37.99 78.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.7 -49.17 75.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.395 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.05 -50.0 75.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.756 ' HE2' HG11 ' A' ' 191' ' ' VAL . 0.1 OUTLIER -57.96 -33.33 68.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.6 -54.41 43.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 70.4 mtm -59.74 -46.48 89.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.752 ' HB2' HD11 ' A' ' 273' ' ' ILE . 2.2 tp -59.78 -37.01 77.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -67.36 -38.34 84.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.75 -45.6 78.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.219 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.24 -47.21 77.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.88 HD11 ' HA ' ' A' ' 266' ' ' ILE . 14.9 mt -59.92 -52.94 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -58.27 -41.07 83.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.64 -29.61 70.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . 0.575 ' OE1' HD22 ' A' ' 268' ' ' LEU . 0.8 OUTLIER -62.47 -44.81 95.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.677 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -62.73 -49.83 73.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.59 -47.92 75.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -40.19 94.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . 0.617 ' CE3' HD11 ' A' ' 215' ' ' LEU . 42.9 t-105 -58.94 -59.41 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 108.06 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -56.32 -33.36 65.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -59.69 -41.91 91.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.617 HD11 ' CE3' ' A' ' 212' ' ' TRP . 2.7 pp -90.01 -0.06 57.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.43 97.35 35.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.595 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 59.26 5.15 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 68.7 t -100.95 82.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -118.03 131.77 56.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.596 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -163.7 165.0 23.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -62.94 -140.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 107.12 2.41 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.557 1.82 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.781 HD11 ' HB3' ' A' ' 227' ' ' GLN . 0.0 OUTLIER -62.61 130.59 27.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.824 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -39.58 152.7 0.2 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 109.43 2.93 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.504 1.792 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 96.35 -23.19 35.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.824 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 0.0 OUTLIER -45.22 -40.04 6.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.582 ' HB3' ' CZ2' ' A' ' 249' ' ' TRP . 2.1 ttp 41.01 50.13 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' A' ' 230' ' ' GLU . 3.6 ptt85 -58.34 -176.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 229' ' ' ARG . 0.4 OUTLIER -32.79 96.68 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.468 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.0 Cg_endo -75.04 147.2 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.769 . . . . 0.0 110.968 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.14 -178.71 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.677 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -56.63 -38.46 81.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 239' ' ' THR . 0.2 OUTLIER -60.01 -39.11 84.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 110.001 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . 0.468 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.5 OUTLIER -65.3 -36.17 83.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.665 HD13 HG21 ' A' ' 261' ' ' ILE . 19.5 mt -60.48 -30.72 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.95 -22.94 62.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 94.44 21.49 26.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 234' ' ' SER . 5.7 t -83.97 -38.35 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 110.489 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 37.7 m -105.92 -2.25 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 21.6 t -136.98 136.23 38.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 245' ' ' GLU . 1.6 t -80.67 -177.77 6.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.752 ' CD1' HD13 ' A' ' 247' ' ' ILE . 3.3 tm? -67.07 -59.69 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.61 -45.58 27.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.457 ' HB3' ' CE ' ' A' ' 228' ' ' MET . 4.8 mm-40 -61.67 -37.12 82.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -69.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.948 HD11 HG21 ' A' ' 180' ' ' THR . 1.0 OUTLIER -46.59 -39.43 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -59.99 -51.75 57.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.664 ' CD1' HD13 ' A' ' 256' ' ' ILE . 0.7 OUTLIER -63.52 -31.35 72.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . 0.5 ' HE1' ' HB ' ' A' ' 180' ' ' THR . 0.2 OUTLIER -67.31 -24.16 65.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 247' ' ' ILE . 8.6 t -118.16 22.21 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.457 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.434 ' O ' ' CA ' ' A' ' 255' ' ' PRO . 0.3 OUTLIER -99.43 172.39 7.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 109.574 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 1.4 m120 -119.77 115.26 33.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.96 157.87 99.34 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.026 -0.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.434 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.11 123.89 8.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.575 1.829 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . 0.664 HD13 ' CD1' ' A' ' 249' ' ' TRP . 3.6 mt -100.25 108.57 53.15 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.81 4.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.558 1.82 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.669 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.5 OUTLIER -61.54 -39.38 82.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.11 86.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -32.09 71.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 258' ' ' VAL . 17.0 mt -63.3 -45.66 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 36.2 t80 -64.18 -37.39 87.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.406 ' HE2' ' N ' ' A' ' 264' ' ' ARG . 1.3 ttpt -56.53 -45.5 81.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.406 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 29.6 ttt180 -62.5 -34.32 76.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.541 ' CD1' ' HG2' ' A' ' 208' ' ' GLU . 49.2 m0 -62.09 -47.86 82.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.88 ' HA ' HD11 ' A' ' 205' ' ' ILE . 63.4 mt -57.35 -45.8 85.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.81 -34.2 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . 0.575 HD22 ' OE1' ' A' ' 208' ' ' GLU . 0.0 OUTLIER -58.79 -54.56 45.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.729 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.15 -59.31 9.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.44 1.087 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.924 ' O ' HG23 ' A' ' 274' ' ' VAL . 11.6 mt -44.62 -33.14 1.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -63.62 -45.78 88.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 269' ' ' GLY . 3.3 mmtt -69.09 -37.32 78.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 0.752 HD11 ' HB2' ' A' ' 201' ' ' LEU . 41.5 mt -64.64 -40.88 90.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.24 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 270' ' ' LEU . 57.1 t -73.55 -37.54 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 34.4 mtt-85 -72.71 -16.33 61.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -91.86 -37.95 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 0.539 ' O ' ' CG ' ' A' ' 277' ' ' TYR . 5.6 t80 -91.98 2.99 56.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 1.4 p -79.08 150.17 74.26 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.29 3.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 7.9 m -151.75 143.55 23.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 26.2 p -49.55 158.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 40.9 mm 63.86 132.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.24 160.67 7.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.26 167.33 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.553 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -149.08 109.18 4.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.589 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -123.2 145.47 48.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.594 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.98 103.14 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.54 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -152.61 154.65 35.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.637 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.655 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.449 ' CB ' ' HG2' ' A' ' 52' ' ' GLU . . . 57.14 66.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.75 . . . . 0.0 109.297 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -67.66 -50.31 58.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.65 -59.07 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -140.64 -179.13 5.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.997 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.952 HG11 HG21 ' A' ' 34' ' ' ILE . 2.5 t -62.64 -48.93 85.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.616 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.3 mt -106.77 154.31 21.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.065 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.12 179.74 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.18 -58.09 16.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.96 -40.57 20.79 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.01 -38.14 78.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.674 HD21 HD21 ' A' ' 31' ' ' LEU . 4.9 tp -69.27 -43.53 73.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -35.29 66.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' HG12 ' A' ' 19' ' ' ILE . 2.8 mptp? -71.65 -45.32 62.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.387 1.055 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.776 ' CE3' HD12 ' A' ' 85' ' ' LEU . 37.1 t-105 -59.03 -64.89 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -47.45 -24.02 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -92.27 49.37 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.558 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 1.7 mm -130.58 144.48 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -96.5 124.76 40.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.67 HD21 ' N ' ' A' ' 29' ' ' TYR . 2.6 mt -64.94 -126.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.5 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 1.9 mtt180 170.53 -54.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.225 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.5 Cg_endo -74.91 124.87 8.99 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.62 -0.8 61.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.33 -113.01 0.81 Allowed Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.68 62.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.404 0.708 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -160.44 0.74 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.452 ' C ' HD21 ' A' ' 21' ' ' LEU . 4.1 pm0 -120.0 159.99 23.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.239 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.67 ' N ' HD21 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -83.57 153.22 24.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.32 173.74 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.674 HD21 HD21 ' A' ' 13' ' ' LEU . 2.6 mm? -61.33 -26.79 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -45.69 92.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -63.99 -35.92 82.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.952 HG21 HG11 ' A' ' 7' ' ' VAL . 4.2 mt -63.79 -50.05 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.02 -44.51 62.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 109.364 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -62.56 -39.58 94.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.001 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.603 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.35 -52.88 63.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -34.78 77.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -60.7 -41.14 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.17 -34.88 79.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.971 ' O ' HG12 ' A' ' 46' ' ' VAL . 86.4 mt -59.61 -49.45 77.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 109.237 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -57.13 -37.18 71.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -35.79 72.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.81 7.79 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.91 46.15 4.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.971 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.4 p -124.96 150.13 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.92 127.58 91.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -18.96 18.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.82 -10.66 59.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.574 HD12 HD11 ' A' ' 60' ' ' ILE . 25.2 mt -74.06 -27.9 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.63 HD12 ' SG ' ' A' ' 57' ' ' CYS . 8.2 tp -81.43 -15.84 53.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.449 ' HG2' ' CB ' ' A' ' 3' ' ' ALA . 41.6 mt-10 -74.48 -22.06 59.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.3 p -125.87 157.99 36.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.374 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.499 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 9.8 p -70.09 -31.05 68.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -50.0 72.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.563 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -61.66 -37.13 93.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.63 ' SG ' HD12 ' A' ' 51' ' ' LEU . 1.7 m -64.13 -41.22 97.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.04 -42.18 93.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.88 -38.64 91.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.574 HD11 HD12 ' A' ' 50' ' ' LEU . 1.1 mp -72.71 -73.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.403 1.064 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.574 ' N ' HG22 ' A' ' 60' ' ' ILE . 12.4 tp -41.22 -36.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.95 -48.97 83.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' ILE . 12.1 tt0 -97.41 22.12 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.54 HD23 ' CD2' ' A' ' 79' ' ' TYR . 13.5 tp -107.74 -26.85 10.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.613 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -53.65 -44.83 98.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.99 -40.67 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.827 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.24 -11.69 59.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.936 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.4 mt -70.65 -44.33 67.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -7.36 52.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.827 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.5 t -119.43 -5.94 10.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.706 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -80.62 -98.2 0.35 Allowed Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 24.4 p 167.34 -176.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.403 0.707 . . . . 0.0 109.95 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.43 -40.82 95.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -71.41 -47.06 58.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 110.242 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.706 HD13 ' CA ' ' A' ' 71' ' ' GLY . 7.9 tt -60.8 -34.42 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.519 ' HA ' HD22 ' A' ' 68' ' ' LEU . 19.9 mtt-85 -61.51 -43.79 98.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 7.3 t -61.18 -30.69 70.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.939 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.688 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -66.17 -47.4 74.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.936 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.5 t80 -58.14 -42.81 86.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -59.18 -31.86 69.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.603 HG21 ' HB2' ' A' ' 37' ' ' ALA . 28.8 m -67.01 -48.12 69.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.515 HD13 HG21 ' A' ' 60' ' ' ILE . 8.8 mt -66.39 -37.96 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.937 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -56.04 -58.36 8.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.651 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.8 t -58.51 -42.06 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.776 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -56.82 -35.48 68.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 25.3 t80 -61.89 -51.98 65.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.442 ' SG ' HD13 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -60.23 -37.87 81.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.413 1.071 . . . . 0.0 108.311 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -62.71 -39.96 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.499 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 2.0 m80 -55.85 -40.13 72.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.627 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.442 ' HB2' ' CD1' ' A' ' 92' ' ' ILE . 2.0 mp0 -88.37 -17.77 29.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.098 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 76.6 39.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.273 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.442 HD13 ' SG ' ' A' ' 87' ' ' CYS . 2.3 mp -75.87 141.2 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.02 92.79 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.422 HG23 ' CD1' ' A' ' 19' ' ' ILE . 17.5 m -111.39 173.67 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 15.2 mttt -142.49 -61.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.19 170.26 9.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.522 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.2 m -60.56 -44.73 95.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -32.4 69.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -34.65 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.842 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -70.49 -39.52 74.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.72 -47.25 80.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.6 -40.55 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -64.2 -61.89 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.937 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.9 pt -56.48 -27.99 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.36 -53.98 52.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -48.99 79.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -51.04 59.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -55.36 -52.82 62.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -52.98 -43.84 66.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -55.58 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.1 t -50.18 -50.96 47.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.639 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 0.6 OUTLIER -51.94 -53.78 37.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -51.55 -54.44 27.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.249 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -36.38 61.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 112' ' ' LYS . . . -58.01 -62.18 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 117' ' ' GLN . 15.5 pt20 -58.35 -29.81 66.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.152 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 48.3 mt-30 -62.94 -57.14 11.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.42 -56.95 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -48.56 -53.21 19.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -48.31 -54.07 15.08 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.18 -61.11 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.6 p -62.04 115.78 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.162 . . . . 0.0 110.391 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -121.16 27.22 6.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 44.9 t30 64.63 92.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 0.774 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 39.4 t30 177.31 153.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.5 p -103.42 78.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 179.83 157.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 128' ' ' VAL . 11.3 p -174.0 118.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.6 p 179.35 79.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.53 78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -179.82 148.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -172.08 93.46 0.4 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 148.04 34.73 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.49 ' O ' ' C ' ' A' ' 135' ' ' VAL . 3.3 pt -146.23 64.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.639 ' O ' HG23 ' A' ' 135' ' ' VAL . 30.6 m 33.07 87.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -178.87 136.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -136.94 167.81 20.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.5 mt 67.87 90.76 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -170.7 98.22 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 68.61 97.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -174.86 108.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.23 96.81 3.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.6 t -137.89 146.36 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.41 ' HB2' HG21 ' A' ' 247' ' ' ILE . 3.5 t-80 -78.41 142.55 37.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.12 148.05 28.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.62 179.75 4.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.567 HG12 HG21 ' A' ' 151' ' ' THR . 1.5 tt -90.32 143.31 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.86 160.48 52.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.417 ' HA ' HD12 ' A' ' 152' ' ' LEU . 18.2 Cg_endo -74.99 -23.16 14.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -64.39 -40.97 96.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.567 HG21 HG12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -67.39 -32.42 73.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.352 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.884 ' O ' HG23 ' A' ' 156' ' ' VAL . 16.8 mt -72.19 -42.49 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.0 -30.9 69.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.81 -49.62 72.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.521 ' O ' HG23 ' A' ' 159' ' ' VAL . 13.1 t90 -67.5 -48.4 67.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 107.954 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 152' ' ' LEU . 43.9 t -44.46 -43.36 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -63.9 -40.02 95.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 155' ' ' TRP . 5.9 t -63.72 -44.89 98.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.591 HG11 ' N ' ' A' ' 192' ' ' GLY . 23.7 t -55.06 -29.57 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -77.78 -33.8 52.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.77 -78.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 26.9 mmtt -69.84 -71.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.89 -48.27 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.64 ' CE2' ' HB1' ' A' ' 163' ' ' ALA . 0.7 OUTLIER -159.33 129.94 5.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.041 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.535 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER 177.46 170.82 0.42 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.012 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -18.59 18.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -94.76 0.93 55.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -103.6 -34.6 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.4 mm -55.5 -44.91 99.89 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.02 -35.49 3.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.11 -39.8 93.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.409 1.068 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.712 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 32.9 t80 -61.17 -44.28 97.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -34.42 76.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.69 91.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.566 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -76.78 -14.1 59.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.64 ' OG ' HD21 ' A' ' 184' ' ' LEU . 17.8 t -107.63 13.74 26.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -40.3 104.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 41.93 71.23 0.38 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.1 -176.32 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.235 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.902 HG21 HD11 ' A' ' 247' ' ' ILE . 0.7 OUTLIER -112.51 -172.06 0.22 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.595 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.03 -41.83 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.449 1.763 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -65.25 -63.47 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.491 ' OD2' HD12 ' A' ' 147' ' ' ILE . 0.0 OUTLIER -47.6 -47.51 28.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.64 HD21 ' OG ' ' A' ' 176' ' ' SER . 54.9 mt -60.75 -41.61 95.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.229 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -42.41 72.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.722 ' CG2' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -71.25 -35.72 71.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.409 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.506 ' HE2' ' CE1' ' A' ' 172' ' ' PHE . 0.7 OUTLIER -61.43 -45.49 94.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.477 HD11 HG21 ' A' ' 266' ' ' ILE . 1.0 OUTLIER -80.2 -10.8 59.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -83.58 -23.93 31.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.386 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.617 ' O ' HG22 ' A' ' 156' ' ' VAL . 4.9 t -97.21 -18.94 18.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.863 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.6 OUTLIER -51.12 -178.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.591 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -165.89 56.48 0.25 Allowed Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.547 1.155 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . 0.563 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -105.4 26.45 21.59 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 0.3 OUTLIER 81.61 139.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 0.73 . . . . 0.0 109.544 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -64.13 -38.09 89.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -58.03 -49.48 76.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.418 1.074 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.31 -49.04 79.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.231 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.863 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.07 -37.5 74.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -57.83 -54.58 45.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -60.02 -29.15 68.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 1.008 HD13 HD11 ' A' ' 273' ' ' ILE . 0.8 OUTLIER -65.55 -36.68 84.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.239 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 0.0 OUTLIER -68.74 -30.26 68.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 11.0 tt0 -67.17 -47.05 72.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.78 -48.88 34.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.471 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.882 HD11 ' HA ' ' A' ' 266' ' ' ILE . 19.9 mt -58.74 -55.52 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 3.2 t30 -58.4 -37.94 76.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.414 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 1.0 OUTLIER -65.73 -29.73 70.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . 0.462 ' HB3' ' CE2' ' A' ' 265' ' ' TRP . 0.0 OUTLIER -67.35 -34.46 77.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.608 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -69.3 -50.05 50.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.01 75.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -66.46 -36.27 82.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.23 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -58.99 -62.54 1.81 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.573 1.171 . . . . 0.0 107.99 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.17 -33.53 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -38.52 83.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.579 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.8 pp -94.58 0.32 55.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 98.14 38.17 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.588 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 93.62 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 68.6 t -40.41 117.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.379 1.05 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -114.45 98.35 6.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.599 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -78.9 75.14 5.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -92.74 -142.5 11.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.49 8.64 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 1.012 HG21 ' HG2' ' A' ' 229' ' ' ARG . 20.6 tt -170.68 166.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.543 ' HB3' ' CG ' ' A' ' 227' ' ' GLN . . . -65.9 156.24 84.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 98.82 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.543 1.812 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 108.64 -12.01 35.59 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.461 1.101 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.543 ' CG ' ' HB3' ' A' ' 224' ' ' ALA . 0.0 OUTLIER -49.91 153.29 1.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 110.331 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.564 ' HB3' ' CZ2' ' A' ' 249' ' ' TRP . 17.9 ttp -72.56 66.93 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 1.012 ' HG2' HG21 ' A' ' 223' ' ' ILE . 62.5 mtm180 -49.07 178.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.322 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 229' ' ' ARG . 0.7 OUTLIER -38.04 100.91 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.438 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.5 Cg_endo -74.94 148.96 36.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.85 172.39 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.608 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -48.64 -38.28 21.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.393 1.058 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . 0.432 ' O ' HG22 ' A' ' 239' ' ' THR . 72.6 m -62.46 -46.83 86.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . 0.72 ' HA ' HG22 ' A' ' 240' ' ' THR . 0.9 OUTLIER -59.9 -35.35 74.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.67 ' HA ' HG22 ' A' ' 258' ' ' VAL . 46.8 mt -60.16 -34.56 57.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.6 -6.42 40.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 181' ' ' PRO . . . 65.52 26.2 71.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 234' ' ' SER . 14.7 t -90.49 -37.6 13.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 110.341 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . 0.72 HG22 ' HA ' ' A' ' 235' ' ' ASP . 11.5 t -104.67 -1.18 26.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 80.8 p -125.82 133.81 51.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.79 159.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.533 ' C ' HD13 ' A' ' 243' ' ' LEU . 1.3 tm? -70.14 -38.21 75.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.52 -34.66 67.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.083 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -40.28 94.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -66.02 -59.16 4.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.902 HD11 HG21 ' A' ' 180' ' ' THR . 0.7 OUTLIER -47.7 -39.88 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.94 -47.78 89.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.564 ' CZ2' ' HB3' ' A' ' 228' ' ' MET . 0.6 OUTLIER -65.32 -32.01 73.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 14.8 mtm -65.6 -26.47 67.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 11.4 t -118.14 22.11 12.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.442 ' CD2' ' H ' ' A' ' 253' ' ' ASN . 29.1 t60 -90.24 173.73 7.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.501 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 31.3 m120 -122.04 112.59 31.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.95 158.8 98.76 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.988 0.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.423 ' CA ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.09 119.87 5.8 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . 0.441 HD13 ' CD1' ' A' ' 249' ' ' TRP . 4.5 mt -92.86 114.84 63.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.462 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.4 Cg_endo -74.97 55.81 4.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 236' ' ' ILE . 0.3 OUTLIER -61.9 -48.91 86.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . 0.489 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -61.38 -41.6 99.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.571 1.169 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -32.31 73.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.247 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' ' 257' ' ' PRO . 17.9 mt -69.68 -43.45 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -66.86 -48.62 68.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.707 ' HA ' HD12 ' A' ' 266' ' ' ILE . 0.0 OUTLIER -56.44 -36.16 68.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -64.93 -33.99 77.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.288 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.462 ' CE2' ' HB3' ' A' ' 208' ' ' GLU . 53.9 m0 -61.96 -44.08 97.49 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.89 HG22 HD11 ' A' ' 270' ' ' LEU . 26.5 mt -57.39 -45.39 85.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -31.69 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -56.22 24.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.515 ' C ' HD11 ' A' ' 201' ' ' LEU . . . -62.3 -57.47 16.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.571 1.17 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.89 HD11 HG22 ' A' ' 266' ' ' ILE . 11.7 mt -45.51 -35.81 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -63.47 -41.02 98.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.4 OUTLIER -68.77 -39.18 80.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 1.008 HD11 HD13 ' A' ' 201' ' ' LEU . 32.1 mt -59.45 -45.93 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 270' ' ' LEU . 94.2 t -64.77 -46.06 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -16.32 13.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.69 -37.92 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -95.31 18.16 13.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.98 150.16 92.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -54.87 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 13.3 t -132.73 134.3 44.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.443 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 60.9 p -154.4 122.15 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.22 120.58 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.22 136.8 2.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -124.45 121.82 35.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.642 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -68.16 132.94 48.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.573 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -84.81 -61.94 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.609 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 64.7 83.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -91.29 149.62 21.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.147 . . . . 0.0 109.615 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 36.6 m80 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.625 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.71 66.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 178.4 -56.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.43 65.8 0.08 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.596 1.185 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.8 p 177.63 96.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.101 HG11 HG21 ' A' ' 34' ' ' ILE . 35.6 t -153.55 -66.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.613 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.0 mt -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.48 179.56 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.79 -58.19 15.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.54 -40.57 27.12 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.85 -42.63 89.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.681 HD11 HD13 ' A' ' 31' ' ' LEU . 7.6 tp -64.5 -43.64 93.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -56.04 -32.03 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -45.03 33.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.95 ' CE3' HD12 ' A' ' 85' ' ' LEU . 23.5 t-105 -57.03 -61.74 2.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.96 -21.07 42.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.506 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 6.5 tttt -88.49 43.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.96 HD13 ' CG1' ' A' ' 84' ' ' VAL . 40.2 mt -139.0 127.01 27.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.623 ' C ' HD23 ' A' ' 21' ' ' LEU . 5.9 ttt-85 -89.52 151.14 22.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.636 HD21 ' N ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -127.5 -163.57 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.576 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 1.2 mtt85 -178.34 -58.47 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.576 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.94 123.48 7.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.536 1.808 . . . . 0.0 111.051 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.47 4.76 46.7 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . -132.48 -81.06 0.19 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 84.6 42.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.786 . . . . 0.0 109.341 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.18 -132.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' O ' HD11 ' A' ' 21' ' ' LEU . 3.2 mt-30 -127.82 172.93 10.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -92.08 142.54 27.4 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.21 173.98 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.681 HD13 HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -60.8 -28.86 69.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -62.05 -44.03 97.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.378 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.401 ' CE1' ' O ' ' A' ' 28' ' ' GLN . 16.9 m170 -63.28 -36.95 85.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.597 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.101 HG21 HG11 ' A' ' 7' ' ' VAL . 4.6 mt -62.71 -50.81 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.417 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.25 -44.6 65.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -62.39 -39.91 94.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.46 -50.4 74.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 41' ' ' LEU . 9.4 p -58.11 -34.86 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.61 -40.84 93.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.359 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.68 -34.68 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 110.306 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.959 ' O ' HG12 ' A' ' 46' ' ' VAL . 95.9 mt -57.77 -50.02 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.41 -41.52 85.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -36.75 75.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.555 ' HZ ' ' HG ' ' A' ' 67' ' ' SER . 24.1 t80 -76.12 0.46 18.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 69.89 44.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.959 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.1 p -124.99 149.95 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.89 132.68 94.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -18.85 18.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.35 -11.55 56.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 27.8 mt -71.17 -39.08 72.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.638 HD11 HD22 ' A' ' 85' ' ' LEU . 8.8 tp -70.43 -7.6 44.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -21.8 31.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.7 p -125.61 156.1 39.71 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.414 1.071 . . . . 0.0 110.391 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.9 p -66.55 -33.08 74.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 3.2 mt-10 -66.32 -36.51 83.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.6 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -73.84 -35.98 53.54 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.421 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -64.55 -44.88 89.38 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.484 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 9.6 ptt180 -68.27 -31.73 71.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -45.22 94.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.847 HG12 HD22 ' A' ' 41' ' ' LEU . 1.8 mp -67.6 -69.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.622 HD11 ' CE1' ' A' ' 79' ' ' TYR . 11.7 tp -40.54 -34.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.63 -48.87 78.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.2 OUTLIER -96.76 22.56 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 110.356 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.553 HD23 ' CD2' ' A' ' 79' ' ' TYR . 18.0 tp -110.32 -27.01 9.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.611 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 tm0? -53.08 -45.14 98.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.93 -39.92 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.827 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.36 -12.63 61.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.972 HD11 ' CG ' ' A' ' 79' ' ' TYR . 7.4 mt -71.09 -43.82 66.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.492 ' NE2' ' HA ' ' A' ' 66' ' ' PRO . 1.9 pt20 -74.57 -6.4 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.827 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.9 t -120.86 -4.47 9.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.551 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -82.83 -101.05 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 14.8 p 169.11 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 110.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -41.52 86.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -45.7 62.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.551 HD13 ' HA2' ' A' ' 71' ' ' GLY . 5.9 tt -59.7 -34.05 72.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.518 ' HA ' HD22 ' A' ' 68' ' ' LEU . 32.9 ttt180 -61.11 -48.59 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.29 -36.43 66.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.638 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -60.18 -47.4 86.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.972 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.4 t80 -63.52 -43.28 97.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.67 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.3 t-20 -55.96 -33.12 64.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.791 HG23 ' CH2' ' A' ' 16' ' ' TRP . 3.2 m -70.58 -44.88 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.473 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.498 HG22 ' HB2' ' A' ' 61' ' ' LEU . 11.6 mt -65.56 -36.11 76.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.936 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -60.61 -54.92 39.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.96 ' CG1' HD13 ' A' ' 19' ' ' ILE . 21.1 t -58.74 -45.48 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.23 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.95 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -55.72 -45.71 77.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 58' ' ' ARG . 39.3 t80 -60.42 -37.08 79.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.551 ' HA ' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -68.37 -33.24 73.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.35 1.031 . . . . 0.0 108.321 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 84' ' ' VAL . 55.9 t -66.21 -32.82 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -67.97 -40.53 83.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.626 ' CB ' HD11 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -85.31 -14.07 47.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 62.7 mtt85 64.49 46.89 3.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.6 mp -83.62 141.5 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.43 105.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.472 HG11 ' SG ' ' A' ' 87' ' ' CYS . 23.7 m -134.47 173.0 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -144.42 -52.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 3.3 p-10 -113.54 170.64 8.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.67 HG22 ' CG ' ' A' ' 80' ' ' ASN . 25.2 m -60.58 -44.58 96.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.444 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -62.54 -31.58 72.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.419 ' HA ' ' OE1' ' A' ' 99' ' ' GLU . 7.0 tp10 -63.15 -36.8 84.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.871 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.12 -36.87 77.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.626 HD13 ' OD1' ' A' ' 80' ' ' ASN . 1.3 mp -55.78 -48.03 76.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.66 -43.46 63.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -61.04 2.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.936 HD13 ' HB1' ' A' ' 83' ' ' ALA . 2.8 pt -56.03 -27.81 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -56.92 -54.18 49.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.236 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -48.37 82.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -50.81 60.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -55.13 -52.74 62.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -53.05 -43.71 66.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -56.1 26.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.83 -50.6 44.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.569 1.168 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -52.1 -54.32 31.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.601 1.188 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -53.74 33.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.33 -50.74 38.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.598 1.186 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.6 -55.64 24.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -49.28 -48.64 45.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -52.79 -53.1 53.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.38 -59.56 4.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.56 -56.26 2.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.25 -54.49 20.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.78 -60.73 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.359 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.7 p -65.65 151.31 46.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -112.07 58.79 0.39 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -43.81 104.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 174.56 167.84 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.12 128.18 45.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -177.74 138.12 0.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.243 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.26 165.89 30.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.81 150.91 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.075 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 179.15 151.83 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 58.3 t30 177.62 153.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -174.45 92.95 0.31 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -179.16 4.73 Favored 'Trans proline' 0 C--N 1.362 1.247 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.9 pt -147.2 168.15 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.236 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.3 m -135.97 164.95 30.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 159.08 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.1 p30 175.92 162.14 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -173.83 162.14 3.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -175.94 171.42 2.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 153.4 155.35 7.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -175.39 171.36 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 0.727 . . . . 0.0 110.305 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.87 164.36 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.446 HG22 ' H ' ' A' ' 144' ' ' HIS . 8.5 p -171.58 168.7 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.557 ' CG ' HG23 ' A' ' 247' ' ' ILE . 12.1 m170 -86.1 142.93 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.622 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -81.69 148.49 28.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -73.94 179.32 4.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.553 HG12 HG21 ' A' ' 151' ' ' THR . 1.4 tt -85.82 143.1 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.385 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.14 160.17 52.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.993 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -21.97 15.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -65.92 -37.82 87.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.553 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -66.42 -38.54 87.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.401 1.063 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.971 ' O ' HG23 ' A' ' 156' ' ' VAL . 20.2 mt -59.87 -42.38 93.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -66.92 -42.25 85.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -58.73 -49.13 78.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.6 ' CE2' ' CG2' ' A' ' 159' ' ' VAL . 29.3 t-105 -61.96 -46.85 87.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 108.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.971 HG23 ' O ' ' A' ' 152' ' ' LEU . 46.2 t -45.35 -42.44 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -68.2 -36.4 79.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 155' ' ' TRP . 79.6 t -63.33 -45.38 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.612 HG13 ' HB2' ' A' ' 163' ' ' ALA . 68.9 t -61.94 -46.89 95.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -16.34 63.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -81.31 -52.33 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.657 ' O ' HG21 ' A' ' 168' ' ' VAL . 3.8 mttt -165.22 59.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.709 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -40.57 -45.79 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.473 ' O ' ' CD2' ' A' ' 164' ' ' PHE . 11.9 p90 -110.63 104.53 13.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.631 ' O ' HG12 ' A' ' 168' ' ' VAL . 49.2 p -179.29 163.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . 0.478 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.2 Cg_endo -75.07 -16.75 19.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -95.06 4.8 53.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.709 HG11 ' O ' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -111.31 -32.48 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.641 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 15.3 mm -57.03 -43.86 99.54 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.1 -35.21 3.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -46.0 91.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.477 ' HB2' ' CH2' ' A' ' 155' ' ' TRP . 78.6 t80 -62.08 -44.38 96.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 51.8 p -60.84 -34.53 74.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.44 92.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.225 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.567 ' HB3' ' HE1' ' A' ' 187' ' ' MET . 0.1 OUTLIER -74.43 -10.51 59.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.912 ' HB2' HD21 ' A' ' 184' ' ' LEU . 15.3 p -98.56 14.18 29.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.951 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.02 104.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.37 66.28 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.414 1.071 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -104.01 -174.3 2.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.341 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.913 HG21 HD11 ' A' ' 247' ' ' ILE . 0.6 OUTLIER -113.51 -172.22 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.661 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.4 Cg_endo -74.99 -39.26 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -68.32 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.503 ' OD2' HD12 ' A' ' 147' ' ' ILE . 0.0 OUTLIER -45.1 -46.35 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.912 HD21 ' HB2' ' A' ' 176' ' ' SER . 41.9 mt -62.75 -45.9 90.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -55.24 -36.1 65.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.858 HG22 HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -61.46 -47.15 87.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.346 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.567 ' HE1' ' HB3' ' A' ' 175' ' ' LEU . 1.5 ttp -63.9 -45.64 88.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.488 HD11 HG12 ' A' ' 266' ' ' ILE . 13.0 mt -64.79 -25.47 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -70.67 -48.53 54.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.427 ' CG2' HD22 ' A' ' 152' ' ' LEU . 2.5 t -76.86 -3.16 37.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.456 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.542 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -52.41 -175.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.504 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -168.24 59.45 0.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.4 1.062 . . . . 0.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . 0.635 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -116.97 33.14 5.18 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.3 t60 78.78 136.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.603 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -59.93 -38.05 81.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.3 76.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.22 -49.71 76.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.238 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.542 ' CE ' HG11 ' A' ' 191' ' ' VAL . 1.3 mmt -57.91 -33.74 69.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -68.63 -54.58 15.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 10.5 tmm? -59.04 -36.6 75.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.632 HD13 ' HA3' ' A' ' 269' ' ' GLY . 28.6 tp -61.36 -34.93 76.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -67.58 -32.54 73.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.05 -46.38 74.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -48.91 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.365 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.646 HD11 ' HA ' ' A' ' 266' ' ' ILE . 10.1 mt -58.87 -54.93 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -57.96 -37.12 73.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -67.05 -29.6 69.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.74 -43.72 83.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.6 ' HB1' ' HA3' ' A' ' 233' ' ' GLY . . . -60.39 -50.1 74.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.02 75.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -34.33 76.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . 0.556 ' CE3' HD11 ' A' ' 215' ' ' LEU . 57.3 t-105 -57.61 -56.13 25.86 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.29 -33.54 65.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.158 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -37.86 85.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.235 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.589 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.9 pp -97.62 -0.54 45.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . 0.497 ' CD2' HG13 ' A' ' 218' ' ' VAL . 2.3 t-160 -111.73 96.36 32.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.85 4.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 218' ' ' VAL . 32.9 m -69.39 110.14 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -140.65 116.53 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.645 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . 0.603 ' HB3' ' CZ ' ' A' ' 229' ' ' ARG . . . -154.75 175.76 13.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -78.75 -142.6 2.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.615 1.197 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 116.02 4.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 227' ' ' GLN . 0.2 OUTLIER -56.71 118.64 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -40.43 156.23 0.18 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 106.59 2.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.554 1.818 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 101.44 -21.29 43.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.889 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 0.0 OUTLIER -65.93 171.11 4.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.254 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.635 ' HE2' ' CD2' ' A' ' 249' ' ' TRP . 30.1 ttp -143.8 63.31 1.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 0.603 ' CZ ' ' HB3' ' A' ' 220' ' ' ALA . 0.8 OUTLIER -52.26 -178.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 229' ' ' ARG . 81.0 mm-40 -36.0 96.99 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.438 ' N ' ' O ' ' A' ' 229' ' ' ARG . 18.0 Cg_endo -75.01 149.38 36.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -85.97 177.76 7.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.6 ' HA3' ' HB1' ' A' ' 209' ' ' ALA . . . -55.44 -38.27 69.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 1.5 m -64.87 -40.52 95.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 0.743 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -41.77 90.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.946 HG12 HG22 ' A' ' 258' ' ' VAL . 14.5 mt -60.61 -31.06 48.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.98 -8.14 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.24 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 74.46 24.37 73.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.592 1.182 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.46 -38.33 13.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 240' ' ' THR . 11.0 m -104.46 -0.07 28.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . 0.46 ' HG ' ' HB3' ' A' ' 245' ' ' GLU . 1.2 t -138.44 143.24 39.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.417 HG22 ' HB2' ' A' ' 245' ' ' GLU . 0.6 OUTLIER -72.21 175.03 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.702 HD13 HG12 ' A' ' 247' ' ' ILE . 3.0 tm? -67.07 -59.98 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -50.11 -25.13 3.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.46 ' HB3' ' HG ' ' A' ' 241' ' ' SER . 3.2 mt-10 -69.89 -49.33 53.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . 0.574 ' HB3' HG11 ' A' ' 258' ' ' VAL . 2.7 mm-40 -70.09 -36.75 75.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.913 HD11 HG21 ' A' ' 180' ' ' THR . 28.5 mm -52.8 -56.73 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.59 -47.71 89.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.635 ' CD2' ' HE2' ' A' ' 228' ' ' MET . 0.5 OUTLIER -56.32 -31.3 63.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 5.2 ttm -66.22 -39.89 89.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 251' ' ' THR . 30.6 m -110.6 22.95 14.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.168 . . . . 0.0 110.382 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 255' ' ' PRO . 54.6 t-80 -78.05 169.95 17.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.641 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.448 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 0.9 OUTLIER -121.95 110.63 32.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.1 Cg_endo -75.0 159.84 97.43 Favored 'Cis proline' 0 C--N 1.361 1.226 0 C-N-CA 120.97 -2.512 . . . . 0.0 110.949 0.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -75.04 123.98 8.26 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 5.7 mt -93.06 130.16 37.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.48 ' O ' ' CG1' ' A' ' 261' ' ' ILE . 18.2 Cg_endo -74.93 54.86 3.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.546 1.814 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.946 HG22 HG12 ' A' ' 236' ' ' ILE . 1.4 t -62.27 -59.74 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . 0.452 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.77 -38.17 95.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.091 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -35.3 75.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 236' ' ' ILE . 13.6 mt -63.78 -45.87 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . 0.661 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 19.8 t80 -69.08 -44.54 72.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.28 -42.54 77.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.444 ' NH2' HG21 ' A' ' 267' ' ' ILE . 0.0 OUTLIER -62.4 -33.66 75.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -63.02 -48.23 79.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.965 HG22 ' CD1' ' A' ' 270' ' ' LEU . 54.6 mt -58.0 -48.41 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.444 HG21 ' NH2' ' A' ' 264' ' ' ARG . 0.4 OUTLIER -60.53 -32.62 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -57.87 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.632 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -63.61 -58.75 10.2 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.965 ' CD1' HG22 ' A' ' 266' ' ' ILE . 14.3 mt -43.84 -35.89 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -46.57 87.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 269' ' ' GLY . 2.3 mptm? -66.25 -37.38 85.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 270' ' ' LEU . 31.2 mt -63.61 -43.48 98.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 270' ' ' LEU . 80.2 t -61.76 -46.18 97.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -64.48 -16.4 62.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.78 -38.06 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.83 15.4 23.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.07 152.32 55.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 89.67 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.398 1.736 . . . . 0.0 111.047 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 22.8 m 61.61 118.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 84.7 p -141.12 134.58 29.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.076 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 1.6 pp -94.4 131.75 40.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.58 154.13 23.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -168.31 173.79 7.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.627 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 68.99 150.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.65 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -154.57 172.69 17.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.616 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -142.38 165.98 25.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.629 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -134.55 171.85 13.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.653 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 33.9 p80 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.576 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.04 101.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 176.03 -56.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.03 -61.09 2.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -141.13 -179.13 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.016 HG11 HG21 ' A' ' 34' ' ' ILE . 2.9 t -62.89 -49.56 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.557 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.2 mt -108.22 156.77 18.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.237 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -88.26 179.82 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.941 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.4 -57.55 19.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.423 1.077 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.88 -40.74 24.97 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.8 -40.66 84.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.559 HD11 HD13 ' A' ' 31' ' ' LEU . 21.2 tp -67.54 -39.78 85.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 92.1 m-20 -56.07 -31.9 63.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -76.96 -44.7 30.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.799 ' CZ2' ' CD1' ' A' ' 29' ' ' TYR . 67.0 t-105 -55.98 -60.58 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 107.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.86 -22.54 59.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -91.43 39.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.833 HD13 HG13 ' A' ' 84' ' ' VAL . 54.7 mt -141.58 139.62 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.403 ' C ' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -108.64 154.61 21.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.253 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.628 HD21 ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -112.92 -159.6 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.579 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -178.66 -58.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.579 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.02 123.27 7.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.773 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.36 5.73 30.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . -130.9 -87.69 0.44 Allowed Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER 87.81 37.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.45 -138.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -120.51 177.1 5.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.799 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -98.23 141.79 30.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.07 . . . . 0.0 110.938 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -142.39 168.18 20.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.559 HD13 HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -61.05 -28.1 68.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -61.76 -45.12 95.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -63.05 -36.06 82.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.589 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.016 HG21 HG11 ' A' ' 7' ' ' VAL . 4.4 mt -63.52 -50.12 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.366 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.31 -44.59 54.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 43.0 t90 -62.79 -39.75 95.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 108.009 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.616 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -58.95 -52.97 63.48 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -34.93 77.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -41.13 94.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.493 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 2.9 tt0 -65.25 -34.98 79.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.925 ' O ' HG12 ' A' ' 46' ' ' VAL . 95.9 mt -62.55 -45.78 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.18 -41.21 78.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -25.35 65.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 40' ' ' GLU . 3.3 m-85 -83.66 10.45 9.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 60.4 38.18 19.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.925 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.9 p -125.04 150.08 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -64.48 132.13 95.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -18.91 18.4 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.83 -9.73 59.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.517 HD12 HD11 ' A' ' 60' ' ' ILE . 20.6 mt -70.68 -36.14 73.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.345 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 41' ' ' LEU . 8.8 tp -75.29 -18.77 59.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -22.02 59.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.2 p -125.89 154.27 42.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.447 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 1.4 p -68.53 -30.31 69.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.074 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.0 -48.77 78.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.602 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -63.43 -34.88 91.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.112 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.7 m -63.9 -40.85 97.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -59.98 -37.8 80.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -36.89 75.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.602 HD12 ' O ' ' A' ' 56' ' ' GLY . 1.2 mp -74.57 -75.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.626 HD21 HD12 ' A' ' 104' ' ' ILE . 9.2 tp -44.13 -35.06 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.86 -49.0 83.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.39 22.79 10.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.313 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.483 HD23 ' CD2' ' A' ' 79' ' ' TYR . 12.5 tp -107.79 -26.99 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.23 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.612 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 6.1 tm0? -52.85 -45.29 97.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.241 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.0 Cg_endo -75.03 -40.35 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.536 1.809 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.823 ' HA ' HG22 ' A' ' 70' ' ' THR . 63.1 m -68.47 -11.79 60.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.941 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.4 mt -70.98 -44.19 66.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -74.35 -7.12 51.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.823 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.72 -5.55 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.915 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.48 -98.94 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 20.9 p 167.43 -175.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 0.74 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -61.21 -40.95 95.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -47.07 57.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.388 1.055 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.915 HD13 ' CA ' ' A' ' 71' ' ' GLY . 6.0 tt -60.64 -34.32 74.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.548 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.57 -42.79 99.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.47 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 38.5 t -62.18 -30.46 71.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -66.19 -42.54 88.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.608 1.193 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.941 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.6 t80 -64.59 -43.26 94.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.826 HD22 HG21 ' A' ' 97' ' ' THR . 0.3 OUTLIER -59.11 -26.43 64.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.616 HG21 ' HB2' ' A' ' 37' ' ' ALA . 47.9 m -71.75 -48.46 46.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.442 HG22 ' HB2' ' A' ' 61' ' ' LEU . 3.3 mt -69.24 -33.16 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.804 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -56.97 -60.82 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.833 HG13 HD13 ' A' ' 19' ' ' ILE . 2.7 t -58.1 -41.31 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.587 ' CD1' ' CE3' ' A' ' 16' ' ' TRP . 1.1 mp -56.62 -38.45 72.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -59.86 -48.35 82.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.8 OUTLIER -63.96 -40.0 95.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.46 HG22 ' HB3' ' A' ' 15' ' ' LYS . 17.3 t -60.86 -39.85 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.447 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 1.3 m80 -57.26 -40.2 77.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.601 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.449 ' HB2' ' CD1' ' A' ' 92' ' ' ILE . 0.4 OUTLIER -91.06 -9.79 44.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.9 OUTLIER 65.92 43.39 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 90' ' ' GLN . 2.1 mp -75.92 140.92 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -63.28 89.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.3 m -116.71 173.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -143.91 -47.24 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.441 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -128.33 170.21 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.826 HG21 HD22 ' A' ' 80' ' ' ASN . 5.7 m -59.87 -44.69 94.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 6.0 tmtm? -54.61 -32.15 58.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.382 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.403 ' HA ' ' OE1' ' A' ' 99' ' ' GLU . 6.6 tp10 -68.95 -40.36 78.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.8 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -70.62 -39.29 73.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 105' ' ' GLU . 2.7 mp -56.02 -46.73 78.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -72.28 -44.68 62.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.58 -62.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.804 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pt -55.74 -28.26 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 3.3 tt0 -66.74 -53.82 29.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.2 -51.94 65.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.14 -53.56 54.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -54.96 -52.75 62.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.97 -43.86 66.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -55.8 30.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.406 1.066 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -50.73 45.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.943 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -52.18 -54.25 33.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -51.21 -53.83 31.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -50.71 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.46 -54.49 36.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -50.13 -50.12 49.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -54.4 -54.82 35.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.99 -41.92 65.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.7 90.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.59 7.49 19.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 122' ' ' THR . 13.1 t0 -95.46 -42.5 8.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 121' ' ' ASP . 50.0 p -38.42 104.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 103.12 73.67 0.98 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.61 162.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 172.46 156.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.17 170.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 110.024 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -159.44 171.47 19.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.245 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.448 HG22 ' H ' ' A' ' 129' ' ' SER . 8.7 p -163.38 168.32 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 128' ' ' VAL . 2.8 m -169.2 170.47 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.091 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -167.71 171.16 10.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -172.55 167.8 5.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.53 93.18 48.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 171.8 17.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.541 1.811 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 24.2 pt 40.42 59.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.16 158.76 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.05 169.63 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -156.09 167.8 29.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.4 pp -141.59 176.81 8.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -168.81 171.37 8.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -134.15 -165.02 10.83 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -170.81 171.37 6.11 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 0.797 . . . . 0.0 110.342 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 2.3 mmm -81.73 99.21 8.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 35.3 m -136.55 174.94 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.246 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.437 ' HB2' ' CG2' ' A' ' 247' ' ' ILE . 0.6 OUTLIER -105.28 142.52 34.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.19 147.99 28.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.231 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.76 -175.8 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.746 HD12 ' OD1' ' A' ' 183' ' ' ASP . 1.2 tt -79.97 143.26 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.165 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.07 160.55 51.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 109.962 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -22.9 14.45 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.441 1.759 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -37.47 86.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.597 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -68.67 -38.66 80.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.448 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.96 ' O ' HG23 ' A' ' 156' ' ' VAL . 21.6 mt -61.72 -41.59 97.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.59 -37.91 85.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -64.13 -48.96 74.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.614 ' CZ3' HG11 ' A' ' 158' ' ' VAL . 61.5 t-105 -62.05 -43.4 98.91 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 152' ' ' LEU . 39.3 t -46.04 -43.32 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.368 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -70.17 -33.87 72.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.133 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.614 HG11 ' CZ3' ' A' ' 155' ' ' TRP . 97.3 t -63.61 -42.34 95.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.825 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 40.8 t -77.62 -31.79 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.083 . . . . 0.0 109.357 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.04 -35.09 79.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -90.05 -60.07 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.678 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 9.1 mmtt -82.56 -79.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.825 ' HB2' ' O ' ' A' ' 159' ' ' VAL . . . 85.03 -47.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.559 ' O ' ' CG ' ' A' ' 164' ' ' PHE . 1.9 p90 -155.39 61.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.467 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -116.94 168.42 8.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -18.35 18.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.552 1.817 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.52 0.55 56.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.517 ' CG2' HG12 ' A' ' 158' ' ' VAL . 0.3 OUTLIER -103.57 -34.32 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 27.3 mm -53.66 -45.26 98.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.12 -37.06 2.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -33.54 74.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 111.063 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.721 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 2.5 t80 -61.81 -39.44 91.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 3.9 t -74.62 -27.09 60.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.4 -45.95 61.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.577 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.27 -27.42 53.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.454 ' HB2' ' CD2' ' A' ' 184' ' ' LEU . 4.1 p -100.77 13.82 33.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.35 105.97 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 45.42 67.85 1.14 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.33 -176.62 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 0.0 109.246 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.831 HG21 HD11 ' A' ' 247' ' ' ILE . 1.3 p -109.68 -175.91 0.37 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.2 Cg_endo -75.02 -39.62 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -31.07 69.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.746 ' OD1' HD12 ' A' ' 147' ' ' ILE . 5.9 t0 -80.83 -48.83 11.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 180' ' ' THR . 8.7 mt -61.82 -34.18 75.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.227 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -71.5 -31.84 67.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.787 HG22 HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -68.61 -48.45 64.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.601 ' O ' HG22 ' A' ' 190' ' ' THR . 1.8 ppp? -69.79 -32.93 71.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.664 HD22 ' CE ' ' A' ' 198' ' ' MET . 10.4 mt -74.28 -32.68 63.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 189' ' ' ASN . 38.3 t-20 -68.7 -30.24 68.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 187' ' ' MET . 1.8 t -87.85 -13.66 41.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.901 HG11 ' HE1' ' A' ' 198' ' ' MET . 0.6 OUTLIER -51.65 -177.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.515 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -167.37 57.05 0.23 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . 0.664 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -109.33 28.26 11.22 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 79.58 136.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.59 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -57.92 -38.05 75.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.33 76.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.17 -49.67 76.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.901 ' HE1' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.9 -34.44 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -69.71 -54.56 13.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -58.74 -30.26 67.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.581 HD13 ' HA3' ' A' ' 269' ' ' GLY . 16.8 tp -65.71 -42.84 90.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -60.9 -29.57 69.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.73 -46.32 75.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.51 -48.02 61.9 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 1.13 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.731 HD11 ' HA ' ' A' ' 266' ' ' ILE . 18.4 mt -58.3 -55.54 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -58.2 -37.4 74.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.293 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -65.81 -29.73 70.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.231 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . 0.561 ' OE1' HD22 ' A' ' 268' ' ' LEU . 0.3 OUTLIER -68.01 -40.2 83.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.533 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -65.57 -50.12 66.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.89 76.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.48 -40.11 96.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -57.73 -61.27 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 108.008 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.24 -34.51 66.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -60.35 -41.8 94.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 110.353 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.571 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.9 pp -93.96 -0.01 55.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -111.55 97.1 35.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.607 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 55.66 3.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.018 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 8.1 p -51.31 122.53 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.14 163.86 3.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.61 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -88.15 178.36 6.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 122.08 136.42 4.94 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.469 1.106 . . . . 0.0 111.08 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.42 14.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.437 1.756 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.602 HD11 ' HA ' ' A' ' 228' ' ' MET . 15.7 tt -54.65 159.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.972 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -90.94 156.75 44.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 0.0 109.346 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 100.88 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 106.01 -14.22 44.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.445 1.09 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.972 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 11.9 mp0 -97.24 172.7 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.777 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.602 ' HA ' HD11 ' A' ' 223' ' ' ILE . 0.9 OUTLIER -136.26 121.43 19.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -102.11 159.4 15.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -40.56 102.31 0.26 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.214 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 249' ' ' TRP . 18.2 Cg_endo -75.03 164.14 33.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.526 1.803 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 169.42 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.54 ' HA2' HD12 ' A' ' 236' ' ' ILE . . . -48.72 -37.97 21.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -45.44 93.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.487 0.757 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . 0.469 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 0.5 OUTLIER -59.92 -35.81 75.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.599 HG23 HG22 ' A' ' 258' ' ' VAL . 65.6 mt -60.64 -33.22 53.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.28 -22.69 61.93 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 87.46 25.22 33.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.73 -38.24 47.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 25.1 m -118.4 -0.43 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.377 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . 0.401 ' HA ' ' OE1' ' A' ' 245' ' ' GLU . 1.2 t -112.69 145.24 40.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.957 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.43 167.32 13.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.614 HD13 ' CG1' ' A' ' 247' ' ' ILE . 3.0 tm? -58.26 -60.86 3.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -49.36 -22.33 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.221 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 249' ' ' TRP . 0.6 OUTLIER -70.77 -49.33 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -69.82 -38.81 76.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.831 HD11 HG21 ' A' ' 180' ' ' THR . 50.0 mm -55.14 -61.0 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.863 ' HA2' HG22 ' A' ' 251' ' ' THR . . . -60.36 -35.87 89.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.576 ' CZ2' ' HG3' ' A' ' 231' ' ' PRO . 0.0 OUTLIER -59.53 -33.34 71.26 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.4 mtm -80.11 -26.91 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . 0.863 HG22 ' HA2' ' A' ' 248' ' ' GLY . 6.7 t -109.74 22.38 15.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.411 1.069 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.475 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 73.2 t60 -91.96 167.4 12.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.475 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 1.3 m120 -121.64 111.14 33.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.327 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -75.0 159.79 97.51 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.062 -2.474 . . . . 0.0 110.977 0.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.97 123.36 7.84 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.535 1.808 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 3.5 mt -96.95 115.59 65.77 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 54.47 3.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.721 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.5 OUTLIER -63.02 -39.81 86.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -62.29 -41.93 99.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.26 -32.33 71.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 258' ' ' VAL . 25.5 mt -64.66 -45.37 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -70.77 -48.86 52.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 266' ' ' ILE . 0.3 OUTLIER -56.14 -35.84 67.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 57.6 ttt180 -67.29 -34.13 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -62.19 -42.26 99.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 107.979 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.962 HG22 HD11 ' A' ' 270' ' ' LEU . 54.5 mt -57.96 -48.25 84.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -32.37 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . 0.561 HD22 ' OE1' ' A' ' 208' ' ' GLU . 0.0 OUTLIER -57.89 -58.01 10.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.581 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.63 -59.71 8.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.962 HD11 HG22 ' A' ' 266' ' ' ILE . 12.4 mt -42.87 -35.7 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 0.81 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -62.97 -47.04 84.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 269' ' ' GLY . 23.7 tttt -66.97 -37.4 84.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 0.823 HD12 ' HA ' ' A' ' 270' ' ' LEU . 51.6 mt -58.86 -45.95 91.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.78 -41.99 77.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -63.55 -16.22 60.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.91 -35.28 12.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 0.414 ' CG ' ' CE2' ' A' ' 164' ' ' PHE . 0.1 OUTLIER -99.84 16.53 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.38 153.7 92.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.984 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 154.87 42.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 111.049 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 3.0 m -80.33 102.04 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.363 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 65.2 p 177.85 151.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 7.8 mt 64.18 139.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 7.3 tt -173.36 155.61 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -168.14 163.57 13.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.573 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -175.69 157.83 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.593 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.7 170.69 1.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.555 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -175.38 173.93 2.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.609 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -172.11 139.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 109.566 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.0 176.01 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -56.57 12.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.28 84.27 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.91 58.15 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.942 HG11 HG21 ' A' ' 34' ' ' ILE . 3.0 t -112.16 -63.68 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.625 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.9 mt -99.65 152.39 20.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.07 179.62 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.09 -57.95 16.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.414 1.071 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.05 -41.39 27.37 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.94 -41.29 87.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 110.291 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.75 HD21 HD21 ' A' ' 31' ' ' LEU . 5.3 tp -64.95 -44.11 90.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.489 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -55.91 -31.99 63.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -44.27 38.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.871 ' CE3' HD12 ' A' ' 85' ' ' LEU . 32.9 t-105 -56.79 -61.21 2.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 108.006 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -56.37 -23.46 37.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' ASP . 8.4 mttt -87.17 45.24 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.766 HD13 HG13 ' A' ' 84' ' ' VAL . 91.0 mt -144.21 138.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -87.16 147.05 25.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.338 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 21' ' ' LEU . 3.8 mt -78.33 -127.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 169.66 -54.37 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.412 1.07 . . . . 0.0 110.355 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.5 Cg_endo -74.98 124.93 9.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.1 -0.53 75.86 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.33 -126.7 2.87 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -156.78 57.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -84.9 -172.13 4.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -110.35 143.59 40.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.237 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.558 ' N ' HD21 ' A' ' 21' ' ' LEU . 1.3 m-85 -67.5 147.93 52.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -142.45 171.36 14.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.75 HD21 HD21 ' A' ' 13' ' ' LEU . 2.4 mm? -61.58 -28.61 69.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -61.68 -46.13 91.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -62.79 -35.71 80.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.942 HG21 HG11 ' A' ' 7' ' ' VAL . 3.7 mt -62.9 -49.57 83.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.55 -42.88 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -62.58 -40.89 98.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.007 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.67 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.08 -52.78 64.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.873 ' HA ' HD12 ' A' ' 41' ' ' LEU . 9.7 p -61.71 -34.78 76.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.64 -40.89 93.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -34.93 79.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.914 ' O ' HG12 ' A' ' 46' ' ' VAL . 31.4 mt -57.88 -50.14 74.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.19 -41.96 80.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.591 1.182 . . . . 0.0 110.277 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -37.75 77.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.44 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 35.5 t80 -75.96 0.47 18.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 67.62 46.36 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.914 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.1 p -124.97 150.03 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.64 129.8 94.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.9 18.4 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.79 -11.47 57.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.757 HD12 HD11 ' A' ' 60' ' ' ILE . 29.4 mt -72.22 -40.29 67.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.769 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.767 HD11 HD22 ' A' ' 85' ' ' LEU . 10.8 tp -66.59 -14.66 62.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.23 -21.95 55.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.81 150.05 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.445 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.403 ' CB ' ' HB3' ' A' ' 89' ' ' HIS . 19.4 p -65.27 -30.75 71.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.965 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.89 -50.1 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.487 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -60.25 -34.78 85.98 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.605 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -63.95 -41.25 97.65 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -60.04 -39.58 86.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -37.46 87.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.647 1.217 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.757 HD11 HD12 ' A' ' 50' ' ' LEU . 1.6 mp -73.55 -74.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.519 ' N ' HG22 ' A' ' 60' ' ' ILE . 14.1 tp -41.78 -39.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.6 -48.8 82.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -94.92 19.92 9.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 0.739 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 79' ' ' TYR . 9.9 tp -103.62 -29.38 11.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.605 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.5 tm0? -52.18 -45.24 94.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.01 -40.03 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.582 1.833 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.815 ' HA ' HG22 ' A' ' 70' ' ' THR . 48.9 m -68.13 -11.52 59.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.962 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.897 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.7 mt -70.55 -44.28 67.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -73.87 -7.33 51.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.815 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.74 -5.64 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.574 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.43 -98.56 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 22.2 p 168.99 -177.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 0.764 . . . . 0.0 109.952 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.58 -40.66 95.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -71.14 -47.26 58.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.574 HD13 ' CA ' ' A' ' 71' ' ' GLY . 8.3 tt -60.8 -34.64 74.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.58 ' HA ' HD22 ' A' ' 68' ' ' LEU . 5.2 ttt-85 -61.94 -41.27 97.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.466 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 0.3 OUTLIER -63.38 -30.0 71.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -67.07 -45.94 75.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.897 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.0 t80 -53.56 -44.31 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.605 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 2.3 p30 -65.3 -26.61 68.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.564 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 22.4 m -70.89 -43.93 67.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.605 HG23 ' SG ' ' A' ' 57' ' ' CYS . 42.4 mt -72.35 -42.79 65.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.983 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -49.76 -52.71 29.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.766 HG13 HD13 ' A' ' 19' ' ' ILE . 3.7 t -58.61 -42.75 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.871 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -57.06 -41.2 78.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -59.89 -36.75 77.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.52 ' HA ' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -66.62 -41.62 88.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.8 -32.65 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.403 ' HB3' ' CB ' ' A' ' 54' ' ' SER . 26.1 m170 -65.36 -40.31 93.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 109.584 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.554 ' CB ' HD11 ' A' ' 92' ' ' ILE . 1.1 mt-30 -86.62 -20.32 28.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 87' ' ' CYS . 20.5 ttt180 73.7 36.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.283 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.554 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.8 mt -75.68 141.31 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.158 . . . . 0.0 109.401 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.77 106.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG1' ' SG ' ' A' ' 87' ' ' CYS . 15.1 m -131.57 172.75 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -145.38 -47.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.9 170.65 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.545 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 55.0 m -60.29 -45.41 93.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.431 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -32.55 67.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 103' ' ' LYS . 2.0 tp10 -67.75 -32.0 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.848 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -69.29 -41.35 76.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.583 HD11 ' HE1' ' A' ' 79' ' ' TYR . 1.1 mp -56.73 -45.12 82.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.91 -40.12 65.76 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 109.235 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.489 ' HG2' HG22 ' A' ' 92' ' ' ILE . 3.5 mptt -66.14 -61.23 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.983 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 2.7 pt -55.68 -27.9 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 3.6 mm-40 -59.25 -54.11 50.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.454 ' CG ' ' HE3' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -57.19 -51.03 70.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -52.59 -51.66 58.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.358 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -55.06 -52.8 62.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.427 1.079 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -53.06 -43.74 66.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.454 ' HE3' ' CG ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -59.01 -55.19 38.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.56 -51.05 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -53.81 36.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -51.49 -53.94 32.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.175 . . . . 0.0 109.242 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.47 -50.55 40.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.47 -54.42 37.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.43 -50.23 52.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -54.42 -54.65 37.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.89 ' O ' HG23 ' A' ' 122' ' ' THR . . . -52.97 -41.87 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.23 90.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.62 6.47 20.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -111.93 -5.25 14.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 118' ' ' ALA . 73.3 p -118.04 164.62 14.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.465 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.42 -58.65 0.45 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -40.74 143.02 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 0.803 . . . . 0.0 109.254 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.9 m120 58.7 104.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.0 p -108.32 163.36 13.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -54.48 150.89 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 68.1 t -138.49 137.19 43.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.52 1.138 . . . . 0.0 109.39 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.01 162.3 31.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -165.01 150.46 9.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -124.54 153.4 42.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -140.34 93.25 9.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 0.0 111.024 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 140.43 25.68 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.431 1.753 . . . . 0.0 111.054 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 40.6 mm -116.93 138.92 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.4 m -42.05 147.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.1 135.7 39.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -87.42 117.25 26.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.512 HD22 ' OE2' ' A' ' 177' ' ' GLU . 0.0 OUTLIER -173.81 150.14 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.51 117.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 178.39 -148.55 8.51 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.525 1.14 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -165.05 71.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 0.81 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 175.38 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.3 t 44.95 92.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.88 142.45 33.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.663 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -82.22 147.98 28.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.9 -176.57 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.584 HG12 HG21 ' A' ' 151' ' ' THR . 1.1 tt -83.4 143.48 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.83 160.64 52.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.946 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -23.35 13.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.442 1.759 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -37.26 87.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.24 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.584 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -70.56 -35.49 73.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.454 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.977 HD21 HG22 ' A' ' 186' ' ' THR . 25.7 mt -64.87 -43.11 94.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -67.75 -45.67 74.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.75 77.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.433 ' O ' ' N ' ' A' ' 158' ' ' VAL . 33.3 t-105 -61.97 -47.12 86.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 152' ' ' LEU . 28.2 t -46.72 -43.64 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -61.25 -37.17 82.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.542 HG11 ' SD ' ' A' ' 171' ' ' MET . 47.8 t -70.05 -37.71 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.524 HG11 ' N ' ' A' ' 192' ' ' GLY . 77.0 t -52.93 -42.72 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.9 -38.56 64.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -40.6 85.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.952 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -179.05 72.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.08 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.49 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -38.25 -48.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.668 ' CZ ' ' CD2' ' A' ' 277' ' ' TYR . 3.5 p90 -127.41 146.26 50.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.412 ' N ' HG22 ' A' ' 274' ' ' VAL . 0.0 OUTLIER 170.13 171.64 0.16 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -19.42 17.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.94 5.19 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.952 HG21 ' O ' ' A' ' 162' ' ' LYS . 13.9 t -102.22 -33.64 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.8 mm -52.17 -45.48 93.98 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.2 Cg_endo -75.05 -34.71 3.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.542 ' SD ' HG11 ' A' ' 158' ' ' VAL . 0.0 OUTLIER -61.75 -42.49 99.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.944 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.79 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 24.8 t80 -64.53 -32.42 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 6.8 p -70.56 -26.85 63.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.424 1.078 . . . . 0.0 109.952 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.34 -46.14 61.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.412 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.28 -21.5 53.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.577 ' HB2' HD21 ' A' ' 184' ' ' LEU . 9.9 p -106.19 14.13 28.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.942 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.512 ' OE2' HD22 ' A' ' 138' ' ' LEU . 0.1 OUTLIER -49.68 99.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.352 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 58.79 63.5 5.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.71 -176.81 3.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.885 HG21 HD11 ' A' ' 247' ' ' ILE . 0.6 OUTLIER -116.44 -173.09 0.24 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.406 1.066 . . . . 0.0 110.425 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.3 Cg_endo -75.01 -42.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -69.86 -39.56 76.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.06 -46.89 61.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 180' ' ' THR . 19.8 mt -60.83 -48.79 80.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -55.07 -37.29 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.977 HG22 HD21 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -61.76 -45.6 93.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.534 ' O ' HG22 ' A' ' 190' ' ' THR . 1.4 ttt -62.6 -45.27 93.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.459 HD22 ' CE ' ' A' ' 198' ' ' MET . 44.3 mt -72.03 -16.51 62.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -78.36 -35.18 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 187' ' ' MET . 7.1 t -86.09 -13.0 48.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.544 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.6 OUTLIER -52.0 -177.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 191' ' ' VAL . . . 165.76 98.09 0.12 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . -147.96 -48.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.01 120.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.499 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -57.56 -39.84 77.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.551 1.157 . . . . 0.0 110.234 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.02 -49.34 76.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.36 -49.57 77.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.544 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.9 OUTLIER -57.91 -33.6 68.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.964 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -66.35 -53.27 38.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -59.25 -46.28 88.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 0.0 111.049 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.799 ' HB2' HD11 ' A' ' 273' ' ' ILE . 1.5 tp -57.74 -39.28 76.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -41.33 96.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.5 tt0 -67.09 -37.59 84.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.245 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.18 -42.23 72.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.816 HD11 ' HA ' ' A' ' 266' ' ' ILE . 40.8 mt -66.52 -55.44 18.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -58.39 -42.77 87.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 38.3 tt0 -66.15 -29.35 69.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -35.05 78.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.566 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -72.91 -50.19 25.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.53 -48.17 75.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -68.95 -36.27 77.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . 0.687 ' CE3' HD11 ' A' ' 215' ' ' LEU . 20.7 t-105 -57.65 -62.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.029 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . 0.48 ' OD1' ' CG ' ' A' ' 232' ' ' ARG . 53.6 m-20 -56.43 -32.75 65.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -58.61 -35.98 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.687 HD11 ' CE3' ' A' ' 212' ' ' TRP . 3.4 pp -106.64 -2.43 21.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . 0.506 ' CG ' ' CZ2' ' A' ' 212' ' ' TRP . 10.7 t60 -111.44 106.76 57.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.601 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 0.62 HG23 ' CB ' ' A' ' 230' ' ' GLU . 12.5 p -85.16 49.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 218' ' ' VAL . 21.0 m80 47.79 -175.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.607 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -106.36 125.62 51.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . 0.405 ' HA2' ' HD3' ' A' ' 222' ' ' PRO . . . 116.81 137.87 6.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 223' ' ' ILE . 18.1 Cg_endo -75.03 54.33 3.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.759 HG21 ' HA ' ' A' ' 229' ' ' ARG . 4.4 pt 47.96 -174.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.892 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -82.62 153.57 67.95 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 106.07 2.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 103.41 -20.63 41.76 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.892 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 14.4 mm100 -82.93 172.2 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.604 ' HE2' ' CD2' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -74.9 164.37 26.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 0.759 ' HA ' HG21 ' A' ' 223' ' ' ILE . 0.0 OUTLIER -114.15 145.17 42.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.62 ' CB ' HG23 ' A' ' 218' ' ' VAL . 0.1 OUTLIER -35.68 150.4 0.1 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.932 ' HG3' HD13 ' A' ' 256' ' ' ILE . 18.3 Cg_endo -75.06 81.91 2.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . 0.48 ' CG ' ' OD1' ' A' ' 213' ' ' ASP . 2.5 mtm105 -86.2 -179.25 6.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.359 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.566 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -67.47 -38.39 90.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . 0.833 ' O ' HG22 ' A' ' 239' ' ' THR . 5.5 m -72.67 -47.63 45.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 0.727 . . . . 0.0 109.978 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.8 -45.08 95.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.755 HG12 HG22 ' A' ' 258' ' ' VAL . 14.0 mt -60.59 -27.8 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -73.06 -16.29 61.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.239 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 85.57 22.16 51.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 234' ' ' SER . 15.4 t -90.66 -33.98 15.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 0.804 . . . . 0.0 110.404 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . 0.535 HG22 ' NE ' ' A' ' 229' ' ' ARG . 93.8 m -104.03 -3.27 24.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.487 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.32 153.26 45.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.56 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.5 OUTLIER -86.34 175.69 8.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.167 . . . . 0.0 110.418 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.681 ' C ' HD13 ' A' ' 243' ' ' LEU . 2.4 tm? -60.16 -62.84 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -47.89 -48.5 31.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.447 ' O ' ' CE ' ' A' ' 228' ' ' MET . 1.1 mm-40 -61.13 -33.96 74.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . 0.685 ' HG3' HG11 ' A' ' 258' ' ' VAL . 3.1 tp60 -70.39 -72.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.885 HD11 HG21 ' A' ' 180' ' ' THR . 0.9 OUTLIER -41.36 -34.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -61.19 -48.22 86.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.726 ' CZ3' ' CE1' ' A' ' 252' ' ' HIS . 0.7 OUTLIER -67.33 -31.69 72.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . 0.466 ' CE ' HG13 ' A' ' 247' ' ' ILE . 7.6 mtm -62.17 -26.34 68.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 15.3 t -116.81 22.3 12.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.726 ' CE1' ' CZ3' ' A' ' 249' ' ' TRP . 0.1 OUTLIER -78.56 173.9 11.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.647 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.408 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 43.3 m-20 -122.55 110.56 32.01 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.0 Cg_endo -75.07 159.41 97.99 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.933 0.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.01 119.93 5.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.544 1.813 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . 0.932 HD13 ' HG3' ' A' ' 231' ' ' PRO . 5.8 mt -92.68 133.21 29.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.554 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.3 Cg_endo -74.97 59.93 5.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.755 HG22 HG12 ' A' ' 236' ' ' ILE . 2.6 t -64.36 -68.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . 0.444 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.33 -32.7 81.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -69.54 -32.99 72.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.554 HD12 ' O ' ' A' ' 257' ' ' PRO . 8.6 mt -70.6 -39.44 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . 0.591 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 1.0 OUTLIER -63.92 -48.66 75.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.084 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -56.3 -33.98 66.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.601 1.188 . . . . 0.0 109.373 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 62.3 mtt-85 -67.22 -34.53 77.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.547 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 47.0 m0 -62.18 -44.09 97.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 107.951 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.828 HG22 HD11 ' A' ' 270' ' ' LEU . 67.4 mt -56.84 -47.47 82.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.43 HG13 HG23 ' A' ' 169' ' ' ILE . 0.5 OUTLIER -60.02 -29.68 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -55.64 25.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.725 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.2 -58.2 13.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.985 ' O ' HG23 ' A' ' 274' ' ' VAL . 12.7 mt -44.03 -35.46 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -63.04 -45.91 90.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.0 OUTLIER -67.84 -37.39 81.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 201' ' ' LEU . 27.5 mt -64.88 -33.43 63.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 270' ' ' LEU . 94.0 t -68.77 -45.66 80.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -16.2 63.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.59 -37.89 12.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 0.668 ' CD2' ' CZ ' ' A' ' 164' ' ' PHE . 20.8 m-85 -101.42 15.54 28.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 111.063 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.98 154.59 80.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 8.6 t -137.76 139.85 40.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.35 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 27.5 p -140.14 158.92 43.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . 0.626 ' O ' HD22 ' A' ' 283' ' ' LEU . 0.9 OUTLIER -138.6 142.98 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . 0.626 HD22 ' O ' ' A' ' 282' ' ' ILE . 0.5 OUTLIER -142.5 170.98 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -174.85 113.77 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.574 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -178.06 142.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.606 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -176.5 151.03 0.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.55 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -178.63 150.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.548 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . 0.446 ' CD2' ' C ' ' A' ' 288' ' ' HIS . 0.3 OUTLIER -175.16 172.45 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.609 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.65 179.939 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.407 ' N ' ' CB ' ' A' ' 38' ' ' SER . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.464 ' HB2' ' HG2' ' A' ' 48' ' ' PRO . . . -53.61 110.21 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.27 171.5 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.64 -175.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.367 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.23 60.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.101 HG11 HG21 ' A' ' 34' ' ' ILE . 33.4 t -96.53 -65.31 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.619 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.2 mt -101.44 155.66 17.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.76 179.9 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.084 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.67 -57.8 17.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.11 -40.79 19.5 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' HG2' HG12 ' A' ' 88' ' ' VAL . 4.4 mt-10 -58.72 -39.89 82.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 0.818 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.72 ' CD1' HD11 ' A' ' 31' ' ' LEU . 4.3 tp -67.92 -44.13 77.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -55.91 -35.83 67.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -44.86 63.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.872 ' CE3' HD12 ' A' ' 85' ' ' LEU . 48.9 t-105 -56.71 -53.03 62.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.43 -23.03 56.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.14 48.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 16' ' ' TRP . 2.0 mm -129.46 143.29 41.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -97.41 142.21 29.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.5 mt -94.34 -123.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.524 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 174.36 -55.73 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.339 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -75.0 132.69 15.71 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.559 1.821 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.94 -1.49 59.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . 127.06 -18.75 6.15 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 90.83 74.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 0.797 . . . . 0.0 109.335 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -141.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 4.2 mp0 -133.77 143.03 48.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.464 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -58.62 148.09 30.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -139.91 172.44 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.72 HD11 ' CD1' ' A' ' 13' ' ' LEU . 2.6 mm? -60.96 -27.73 68.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -61.87 -45.02 95.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.38 -36.05 82.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.101 HG21 HG11 ' A' ' 7' ' ' VAL . 5.0 mt -63.65 -51.0 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.2 -43.1 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -62.44 -41.12 98.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 108.007 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.64 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.46 -51.73 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.588 ' HA ' HD12 ' A' ' 41' ' ' LEU . 11.4 p -61.66 -34.84 76.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -60.56 -40.93 93.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -65.36 -34.76 79.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.897 ' O ' HG12 ' A' ' 46' ' ' VAL . 82.0 mt -57.84 -50.11 74.4 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.27 -42.05 80.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -58.49 -37.71 76.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 10.3 t80 -76.05 0.42 18.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 67.8 46.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.897 HG12 ' O ' ' A' ' 41' ' ' LEU . 6.1 p -124.94 149.9 29.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -64.57 131.41 95.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.464 ' HG2' ' HB2' ' A' ' 3' ' ' ALA . 18.3 Cg_endo -74.98 -18.78 18.5 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.586 1.835 . . . . 0.0 111.045 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.47 -11.86 57.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.437 HD12 HD11 ' A' ' 60' ' ' ILE . 27.7 mt -72.07 -39.54 68.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.83 HD11 HD22 ' A' ' 85' ' ' LEU . 12.3 tp -68.73 -16.54 63.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -21.95 59.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.81 145.75 50.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.7 p -60.08 -32.64 71.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -63.99 -49.9 70.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -62.0 -34.95 90.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.743 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -63.98 -43.77 94.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.51 ' HG3' ' CZ ' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -60.05 -38.49 82.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -39.82 89.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.825 HG12 HD22 ' A' ' 41' ' ' LEU . 1.5 mp -70.88 -72.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.485 ' N ' HG22 ' A' ' 60' ' ' ILE . 14.0 tp -40.35 -37.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.05 -48.83 76.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' ILE . 1.5 tt0 -93.06 21.56 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.499 HD21 ' CD1' ' A' ' 78' ' ' LEU . 21.0 tp -110.16 -27.6 9.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.606 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.2 tm0? -50.85 -45.72 87.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.94 -38.77 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.805 ' HA ' HG22 ' A' ' 70' ' ' THR . 25.6 m -68.32 -12.58 61.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.944 HD11 ' CG ' ' A' ' 79' ' ' TYR . 7.3 mt -70.58 -44.27 67.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -75.46 -6.49 50.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.805 HG22 ' HA ' ' A' ' 67' ' ' SER . 1.7 t -117.91 -7.13 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.616 ' HA3' HD12 ' A' ' 75' ' ' LEU . . . -83.36 -100.06 0.54 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.1 p 169.8 -175.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.761 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.68 -41.92 96.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.596 1.185 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -47.43 54.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.687 HD11 HD23 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -58.18 -34.85 70.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.574 ' HA ' HD22 ' A' ' 68' ' ' LEU . 33.3 ttt85 -62.19 -44.03 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.3 -35.2 67.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.64 HD23 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -61.94 -47.17 86.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.944 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.4 t80 -60.51 -41.57 94.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.848 ' OD1' HD13 ' A' ' 101' ' ' LEU . 2.6 t-20 -63.35 -31.62 72.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.614 HG23 ' HH2' ' A' ' 16' ' ' TRP . 8.2 m -70.02 -47.76 60.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.743 HG23 ' SG ' ' A' ' 57' ' ' CYS . 67.8 mt -64.37 -43.34 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.644 1.215 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 1.036 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -49.56 -51.43 36.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.639 HG22 ' HB2' ' A' ' 100' ' ' ALA . 5.4 t -57.85 -43.8 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.872 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.75 -43.71 81.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.51 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 39.6 t80 -60.25 -43.91 95.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.497 ' SG ' HG21 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -62.76 -37.43 86.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.436 HG12 ' HG2' ' A' ' 12' ' ' GLU . 5.2 t -61.06 -32.81 53.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 15.4 m170 -67.54 -40.24 85.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.57 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.553 ' CB ' HD11 ' A' ' 92' ' ' ILE . 6.0 mt-30 -86.77 -13.5 45.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 87' ' ' CYS . 34.5 mtp85 64.18 41.42 6.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.553 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.9 mp -76.01 141.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.16 106.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.497 HG21 ' SG ' ' A' ' 87' ' ' CYS . 17.7 m -139.12 174.0 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.235 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -137.02 -69.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.418 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -101.43 171.69 7.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.745 HG22 ' CG ' ' A' ' 80' ' ' ASN . 63.2 m -59.71 -42.45 93.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.418 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 1.2 tttt -61.12 -31.56 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -67.56 -32.28 72.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.831 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -68.53 -42.07 79.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.848 HD13 ' OD1' ' A' ' 80' ' ' ASN . 0.8 OUTLIER -56.57 -42.69 79.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -73.58 -42.52 61.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -61.54 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.036 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.8 pt -55.32 -27.89 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 2.7 mt-10 -58.33 -54.08 51.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -58.52 -50.14 74.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.253 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -51.2 59.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -52.98 61.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -53.01 -43.77 66.75 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -54.45 46.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -52.21 44.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 3.3 tptm -53.11 -54.67 32.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.67 -47.46 20.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -62.61 -41.9 99.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 112' ' ' LYS . . . -56.26 -60.8 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 117' ' ' GLN . 20.1 pt20 -57.79 -36.41 72.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.414 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 17.9 mt-30 -57.58 -55.68 31.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.99 ' O ' HG23 ' A' ' 122' ' ' THR . . . -53.11 -56.08 18.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.23 -16.91 23.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -99.21 1.46 44.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -146.2 37.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.99 HG23 ' O ' ' A' ' 118' ' ' ALA . 1.1 p -106.02 129.83 54.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.37 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -140.73 158.98 26.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 174.19 137.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -66.8 103.91 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.388 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.51 119.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -76.31 73.08 3.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.278 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 128' ' ' VAL . 11.8 p -173.6 62.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.394 1.059 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 m 177.74 88.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.965 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.545 ' HG3' ' CD1' ' A' ' 132' ' ' TYR . 5.3 pt20 -178.68 154.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.223 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -97.69 105.79 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.545 ' CD1' ' HG3' ' A' ' 130' ' ' GLN . 11.5 p90 -150.11 93.56 3.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.148 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 76.79 3.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 134' ' ' ILE . 8.7 tp -156.7 62.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.3 m -132.58 154.27 39.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -117.41 139.35 51.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 174.48 94.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.509 HD13 ' C ' ' A' ' 138' ' ' LEU . 1.7 tm? -171.41 114.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.422 ' N ' HD13 ' A' ' 138' ' ' LEU . 1.1 pt20 -87.21 135.46 33.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -163.36 167.5 37.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 66.09 149.1 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 0.754 . . . . 0.0 110.294 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.681 ' C ' HG13 ' A' ' 143' ' ' VAL . 2.6 ptp -161.89 133.05 5.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.681 HG13 ' C ' ' A' ' 142' ' ' MET . 1.5 m 60.75 121.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.47 ' HB2' HG23 ' A' ' 247' ' ' ILE . 0.2 OUTLIER -108.55 141.81 39.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 109.611 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -82.28 148.64 28.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.01 -174.69 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.619 HG12 HG21 ' A' ' 151' ' ' THR . 0.4 OUTLIER -78.14 142.67 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.495 ' O ' HG22 ' A' ' 151' ' ' THR . 0.0 OUTLIER -86.62 161.76 47.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.929 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.15 14.14 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.449 1.762 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -44.31 89.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.619 HG21 HG12 ' A' ' 147' ' ' ILE . 2.3 t -70.31 -36.06 74.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.808 ' O ' HG23 ' A' ' 156' ' ' VAL . 25.8 mt -64.03 -32.59 74.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.06 -47.1 66.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.64 -49.62 76.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.679 ' HZ2' HG23 ' A' ' 191' ' ' VAL . 1.9 t90 -61.81 -49.22 77.18 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 152' ' ' LEU . 3.9 t -44.88 -44.11 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -60.1 -37.62 80.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.761 HG11 ' HE2' ' A' ' 171' ' ' MET . 75.6 t -69.42 -45.27 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.688 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 2.6 t -52.87 -46.21 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -21.66 61.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -76.82 -37.53 55.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.687 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.3 OUTLIER -140.19 -57.97 0.54 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.716 ' HB1' ' HA2' ' A' ' 193' ' ' GLY . . . 84.23 -48.4 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.73 ' CE2' ' CD2' ' A' ' 277' ' ' TYR . 4.3 p90 -145.54 109.69 4.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.7 172.32 4.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -19.57 17.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.45 1.763 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.98 -2.46 53.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.73 HG13 ' CE1' ' A' ' 172' ' ' PHE . 2.9 t -99.92 -34.09 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.62 HD11 ' C ' ' A' ' 270' ' ' LEU . 0.3 OUTLIER -49.89 -48.44 77.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.02 -34.22 3.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.761 ' HE2' HG11 ' A' ' 158' ' ' VAL . 1.8 tmm? -61.88 -36.12 80.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.73 ' CE1' HG13 ' A' ' 168' ' ' VAL . 4.6 m-30 -72.81 -35.5 67.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . 0.599 ' HB2' HD11 ' A' ' 267' ' ' ILE . 3.6 t -73.38 -28.66 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.07 -45.64 63.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.497 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -74.63 -35.93 62.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.487 ' HB2' HD21 ' A' ' 184' ' ' LEU . 25.1 p -95.18 14.37 22.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 176' ' ' SER . 1.0 OUTLIER -38.0 101.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 57.48 66.15 3.04 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.518 ' HB3' ' HG ' ' A' ' 184' ' ' LEU . . . -103.99 172.91 6.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 0.795 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.762 HG21 HD11 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -96.86 -173.46 0.33 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.5 Cg_endo -74.98 -40.84 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.437 1.756 . . . . 0.0 111.052 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -70.43 -42.09 72.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.27 -49.56 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.234 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.518 ' HG ' ' HB3' ' A' ' 179' ' ' ALA . 21.4 mt -63.74 -37.06 85.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 38.0 t-20 -63.32 -34.53 77.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.764 HG21 HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -60.82 -45.3 94.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.609 ' SD ' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -68.27 -44.81 74.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.687 HD21 HD21 ' A' ' 201' ' ' LEU . 5.9 mp -80.89 6.03 14.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 1.9 t30 -102.04 -49.17 4.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 191' ' ' VAL . 2.3 t -97.69 11.6 36.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.172 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.679 HG23 ' HZ2' ' A' ' 155' ' ' TRP . 0.9 OUTLIER -51.47 -176.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.583 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -159.89 59.39 0.31 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . 0.716 ' HA2' ' HB1' ' A' ' 163' ' ' ALA . . . -112.17 -71.27 0.59 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -177.81 130.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.543 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -57.52 -41.84 81.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.56 74.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.04 79.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.479 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.07 -33.19 68.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 111.044 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.85 -53.51 54.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 53.9 mtm -64.56 -46.4 82.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.745 HD12 ' HA3' ' A' ' 269' ' ' GLY . 1.4 tp -57.95 -41.97 83.95 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.574 1.171 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -61.29 -40.94 95.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 0.7 OUTLIER -66.77 -37.99 85.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . 0.401 HG23 ' OE1' ' A' ' 208' ' ' GLU . 0.9 OUTLIER -70.06 -40.69 74.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.478 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.699 HD11 ' HA ' ' A' ' 266' ' ' ILE . 31.4 mt -67.04 -55.99 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -40.92 85.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 32.8 tt0 -67.21 -29.21 68.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . 0.527 ' OE1' HD22 ' A' ' 268' ' ' LEU . 0.8 OUTLIER -64.72 -32.05 73.55 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.61 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -74.75 -49.75 19.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -58.31 -48.31 80.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 208' ' ' GLU . 3.0 pp20? -67.08 -36.52 82.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' A' ' 216' ' ' HIS . 3.6 t-105 -59.08 -60.63 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 107.961 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -56.34 -33.2 65.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -59.23 -42.1 90.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.02 -1.92 56.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . 0.562 ' HB2' ' CH2' ' A' ' 212' ' ' TRP . 4.8 t60 -111.17 101.58 50.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.58 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 86.54 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 0.515 ' CG2' ' CB ' ' A' ' 230' ' ' GLU . 0.5 OUTLIER -58.23 127.64 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -93.95 71.48 4.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.67 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -176.64 171.97 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -94.05 -142.96 12.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 140.2 25.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.583 HD11 ' HA ' ' A' ' 228' ' ' MET . 16.7 tt -67.2 157.09 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.827 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -91.87 163.22 28.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . 0.457 ' HD2' ' HB1' ' A' ' 224' ' ' ALA . 18.0 Cg_endo -75.03 101.74 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.788 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 101.03 -15.32 58.12 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.827 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 3.4 mm100 -96.31 179.71 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.272 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.591 ' HE2' ' CD2' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -124.39 148.92 47.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.47 94.87 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.259 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.515 ' CB ' ' CG2' ' A' ' 218' ' ' VAL . 15.8 mm-40 59.73 151.14 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.528 ' HB3' HG21 ' A' ' 256' ' ' ILE . 18.2 Cg_endo -74.99 102.86 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -116.72 143.55 45.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.61 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -51.19 -38.41 40.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -35.75 76.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 110.016 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -74.35 -48.5 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.731 ' CG1' HG22 ' A' ' 258' ' ' VAL . 7.0 mt -61.41 -24.24 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -77.07 -23.14 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 86.52 25.91 34.48 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.172 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.43 -38.44 49.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 0.781 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 240' ' ' THR . 25.2 m -130.42 5.44 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.425 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 8.4 t -121.61 157.92 29.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.47 ' CG2' ' HG2' ' A' ' 244' ' ' GLN . 0.7 OUTLIER -96.88 176.66 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.526 HD22 HD12 ' A' ' 247' ' ' ILE . 1.4 tm? -67.11 -58.74 4.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . 0.47 ' HG2' ' CG2' ' A' ' 242' ' ' THR . 0.4 OUTLIER -54.37 -23.12 14.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.458 ' HB3' ' CE ' ' A' ' 228' ' ' MET . 6.5 mt-10 -71.05 -41.14 71.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 242' ' ' THR . 0.0 OUTLIER -67.93 -53.79 23.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.762 HD11 HG21 ' A' ' 180' ' ' THR . 0.9 OUTLIER -50.84 -41.2 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.88 -51.59 57.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.591 ' CD2' ' HE2' ' A' ' 228' ' ' MET . 0.7 OUTLIER -61.22 -31.93 71.7 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 24.0 mtm -68.13 -23.57 64.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 251' ' ' THR . 30.3 m -118.3 22.35 12.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.57 ' CE1' ' CZ3' ' A' ' 249' ' ' TRP . 0.3 OUTLIER -84.8 170.19 13.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.593 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.03 111.0 32.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 159.42 97.94 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.934 -2.528 . . . . 0.0 110.934 0.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.98 121.3 6.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.53 1.805 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . 0.613 HG23 ' HD2' ' A' ' 257' ' ' PRO . 7.2 mt -89.9 139.75 27.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.178 . . . . 0.0 109.227 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 256' ' ' ILE . 18.1 Cg_endo -75.0 55.15 3.86 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.56 1.821 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.731 HG22 ' CG1' ' A' ' 236' ' ' ILE . 1.8 t -59.77 -60.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . 0.429 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -60.98 -42.8 99.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -64.36 -32.38 73.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.693 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 9.0 mt -66.3 -46.12 87.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . 0.453 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 0.3 OUTLIER -67.17 -46.69 73.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.925 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -56.18 -40.13 73.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -65.37 -32.93 74.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.693 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 55.0 m0 -62.06 -47.81 83.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 107.991 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.907 HG22 ' CD1' ' A' ' 270' ' ' LEU . 79.4 mt -57.28 -47.21 84.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 173' ' ' SER . 0.4 OUTLIER -60.59 -29.1 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . 0.527 HD22 ' OE1' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -64.49 -56.46 13.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.745 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.04 -58.66 11.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.907 ' CD1' HG22 ' A' ' 266' ' ' ILE . 14.7 mt -44.93 -33.1 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . 0.418 ' N ' HD11 ' A' ' 169' ' ' ILE . 1.1 m-20 -64.26 -45.22 89.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 269' ' ' GLY . 66.0 mttt -69.17 -37.61 78.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 201' ' ' LEU . 60.1 mt -59.7 -45.73 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 270' ' ' LEU . 79.5 t -71.34 -41.35 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -58.06 -16.5 13.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.16 -28.68 14.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 0.73 ' CD2' ' CE2' ' A' ' 164' ' ' PHE . 7.7 t80 -103.38 17.36 24.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.155 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.91 116.49 48.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 58.14 4.8 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.545 1.813 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 42.4 p -139.29 -55.81 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 4.8 t 60.67 119.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.042 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -173.92 144.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 4.9 tt -157.36 132.92 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -139.19 67.06 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.577 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -104.57 170.93 7.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.64 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -173.81 92.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.633 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -129.81 170.28 14.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.599 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 62.19 117.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.551 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.551 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.86 156.52 44.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.758 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.52 134.78 48.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 64.15 176.15 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.6 56.59 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.066 HG11 HG21 ' A' ' 34' ' ' ILE . 30.0 t -98.21 -66.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.616 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.3 mt -103.59 152.09 22.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.0 179.64 7.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.975 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.64 -57.46 18.8 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.41 -41.69 29.71 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -41.32 87.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.354 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.618 ' CD1' HD13 ' A' ' 31' ' ' LEU . 8.0 tp -65.05 -40.91 95.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -55.86 -31.58 62.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -77.03 -44.86 29.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.894 ' CE3' HD12 ' A' ' 85' ' ' LEU . 42.1 t-105 -56.96 -63.69 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 107.98 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 4.6 tt0 -53.69 -35.45 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -52.77 -55.42 22.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.82 HD13 HG13 ' A' ' 84' ' ' VAL . 4.4 mt -54.06 142.7 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -100.31 154.07 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.799 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -75.54 -133.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.534 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 176.04 -56.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.534 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.6 Cg_endo -74.97 124.49 8.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.478 1.778 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.12 -1.19 60.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . 144.61 -127.37 2.91 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.0 57.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 0.0 109.242 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.62 -173.78 4.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.248 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.4 146.5 38.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.3 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.629 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 5.6 m-85 -60.16 149.74 31.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HE2' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -143.29 163.29 33.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.618 HD13 ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -60.96 -28.89 69.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -42.96 99.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.467 ' CE1' ' HE2' ' A' ' 30' ' ' LYS . 17.3 m80 -64.17 -36.32 83.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.066 HG21 HG11 ' A' ' 7' ' ' VAL . 7.1 mt -63.9 -50.21 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -49.44 -43.58 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -62.7 -40.6 97.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.508 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.4 -51.89 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.614 ' HA ' HD12 ' A' ' 41' ' ' LEU . 5.8 p -57.9 -34.89 70.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -60.75 -41.03 94.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.32 -34.97 79.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.233 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.932 ' O ' HG12 ' A' ' 46' ' ' VAL . 77.1 mt -59.06 -49.33 78.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.96 -39.13 74.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.38 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -38.89 77.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.467 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 9.0 t80 -76.68 -0.39 23.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 70.01 46.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.932 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.9 p -124.9 149.4 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -65.13 135.2 96.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -18.96 18.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.78 -12.66 54.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.563 1.165 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.509 HD12 HG22 ' A' ' 46' ' ' VAL . 24.8 mt -73.51 -30.78 63.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 0.752 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.695 HD11 HD22 ' A' ' 85' ' ' LEU . 13.3 tp -78.51 -15.89 58.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -22.11 54.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.554 1.159 . . . . 0.0 110.378 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.96 150.39 48.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.446 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.516 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 11.1 t -64.79 -31.44 72.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.964 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 56' ' ' GLY . 12.7 pt-20 -63.07 -39.93 96.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.664 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -71.18 -40.41 61.46 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.431 1.082 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.605 ' SG ' HD12 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -63.87 -44.0 94.41 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -34.58 73.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.08 -37.37 75.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.739 HG12 HD22 ' A' ' 41' ' ' LEU . 1.1 mp -70.99 -72.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.572 ' N ' HG22 ' A' ' 60' ' ' ILE . 10.6 tp -41.99 -38.01 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.51 -48.58 83.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.401 1.063 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.6 19.48 11.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 0.812 . . . . 0.0 110.359 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.491 HD23 ' CD2' ' A' ' 79' ' ' TYR . 14.6 tp -104.13 -27.54 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.606 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.6 tm0? -51.94 -45.44 92.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.02 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.42 1.747 . . . . 0.0 111.012 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.831 ' HA ' HG22 ' A' ' 70' ' ' THR . 18.5 m -68.73 -12.03 60.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.908 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.9 mt -71.02 -43.8 67.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' A' ' 66' ' ' PRO . 3.0 pt20 -74.64 -6.9 51.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.831 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.77 -5.08 10.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.388 1.055 . . . . 0.0 110.335 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.775 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -82.42 -99.42 0.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.7 p 169.19 -175.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.54 -41.23 98.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -47.12 58.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.775 HD13 ' CA ' ' A' ' 71' ' ' GLY . 6.6 tt -61.72 -33.86 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.61 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -61.59 -40.29 94.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.5 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -65.47 -30.8 71.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.67 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -63.86 -41.34 97.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.908 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.6 t80 -62.33 -42.77 99.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.557 ' OD1' ' C ' ' A' ' 80' ' ' ASN . 0.1 OUTLIER -58.38 -32.19 68.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 37' ' ' ALA . 95.3 m -68.64 -48.7 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.541 HD13 HG21 ' A' ' 60' ' ' ILE . 19.1 mt -67.06 -32.1 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.961 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -60.43 -58.79 7.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.243 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.82 HG13 HD13 ' A' ' 19' ' ' ILE . 3.1 t -58.14 -42.48 83.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.894 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.52 -46.34 80.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -60.02 -32.96 71.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.455 ' HB2' HG22 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -70.74 -37.96 73.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 108.267 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.8 t -62.88 -32.71 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.516 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 22.7 m80 -67.8 -40.24 83.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.511 ' CB ' HD11 ' A' ' 92' ' ' ILE . 5.8 mm-40 -84.98 -20.11 31.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.0 OUTLIER 71.43 39.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.511 HD11 ' CB ' ' A' ' 90' ' ' GLN . 2.9 mp -75.89 141.78 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -64.43 107.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.447 HG21 ' SG ' ' A' ' 87' ' ' CYS . 12.0 m -135.54 174.3 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -144.38 -48.03 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.245 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.92 170.86 9.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.466 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 99.2 m -59.63 -46.2 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -58.19 -32.03 67.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -33.2 74.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 110.352 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.814 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -70.09 -39.86 75.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 2.0 mp -56.65 -45.99 81.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -73.14 -41.0 64.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.445 ' HB3' HG21 ' A' ' 92' ' ' ILE . 7.2 mptt -64.53 -62.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.961 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pt -55.48 -28.25 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 5.7 mt-10 -57.52 -53.94 52.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.36 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -49.04 79.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -52.03 -50.95 60.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -55.37 -52.83 62.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.06 -43.69 66.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -56.28 24.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -49.69 -49.85 45.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -54.06 34.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -54.85 26.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.12 -48.82 33.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.44 -55.46 25.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -50.89 -50.61 56.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.429 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -51.04 -50.92 57.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.706 ' O ' HG23 ' A' ' 122' ' ' THR . . . -57.53 -51.43 69.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.98 -20.85 3.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.421 1.076 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -91.56 -34.41 14.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.483 ' OD1' HG23 ' A' ' 122' ' ' THR . 0.3 OUTLIER -89.49 15.4 9.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.579 1.175 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 118' ' ' ALA . 5.7 p -114.33 82.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.446 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -168.37 -58.54 0.03 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -118.97 116.47 26.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.25 153.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.5 t -176.73 155.68 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -178.66 143.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.14 163.62 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.05 149.7 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 179.13 148.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -176.14 151.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.268 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -163.99 92.49 1.06 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 151.41 40.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.746 HD13 ' N ' ' A' ' 135' ' ' VAL . 0.2 OUTLIER -170.37 130.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 134' ' ' ILE . 9.6 p -143.13 144.46 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.17 127.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -151.77 165.37 34.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.595 1.184 . . . . 0.0 109.336 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.739 HD13 ' O ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -175.74 148.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.546 ' N ' HD22 ' A' ' 138' ' ' LEU . 5.7 mt-30 -149.32 171.38 16.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -112.24 86.27 0.42 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.491 ' O ' HG12 ' A' ' 143' ' ' VAL . 0.2 OUTLIER -118.96 170.7 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.774 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.5 mtt -42.68 116.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 141' ' ' GLN . 7.5 p -174.41 145.58 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.429 ' HB2' ' CG2' ' A' ' 247' ' ' ILE . 3.0 t-160 -85.56 142.61 29.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.565 1.166 . . . . 0.0 109.619 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.92 148.08 28.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.52 -176.41 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.52 HG12 HG21 ' A' ' 151' ' ' THR . 1.3 tt -84.47 143.43 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 159.88 54.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.032 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.93 14.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.561 1.822 . . . . 0.0 111.024 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -64.89 -37.37 87.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.536 ' OG1' HD21 ' A' ' 175' ' ' LEU . 0.6 OUTLIER -66.99 -36.01 81.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.413 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.982 ' O ' HG23 ' A' ' 156' ' ' VAL . 23.7 mt -63.54 -43.05 98.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -37.45 85.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -63.46 -49.06 75.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 63.7 t-105 -62.3 -43.76 98.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 108.042 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.982 HG23 ' O ' ' A' ' 152' ' ' LEU . 47.4 t -45.58 -43.49 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -70.27 -34.35 72.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 154' ' ' ALA . 92.4 t -63.71 -37.72 80.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.381 1.05 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.602 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 25.1 t -67.89 -46.37 82.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -19.31 64.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.78 -38.5 15.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.689 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -127.81 -63.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.55 -48.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.455 ' C ' HG22 ' A' ' 274' ' ' VAL . 0.1 OUTLIER -160.85 60.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.47 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -111.22 170.76 4.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.029 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -19.19 17.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.767 . . . . 0.0 110.968 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -92.08 -1.57 57.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.095 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -102.68 -33.45 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.609 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 17.6 mm -51.49 -46.14 90.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.07 -35.49 3.06 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -33.77 75.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.477 ' HE2' HD12 ' A' ' 267' ' ' ILE . 2.3 t80 -68.41 -36.23 78.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . 0.484 ' OG ' HD11 ' A' ' 267' ' ' ILE . 0.8 OUTLIER -64.3 -41.66 96.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.114 . . . . 0.0 109.917 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.0 -45.92 91.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.536 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.0 OUTLIER -77.21 -10.01 59.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.838 ' OG ' HD21 ' A' ' 184' ' ' LEU . 9.0 t -111.19 13.74 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -42.17 103.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 1.095 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 40.75 66.01 0.94 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.91 -175.62 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.935 HG21 HD11 ' A' ' 247' ' ' ILE . 1.2 p -109.44 -177.25 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.67 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.2 Cg_endo -74.99 -36.75 2.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.565 1.824 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -70.01 -42.6 72.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 110.248 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.48 ' OD2' HD12 ' A' ' 147' ' ' ILE . 0.0 OUTLIER -68.03 -48.99 64.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.838 HD21 ' OG ' ' A' ' 176' ' ' SER . 60.7 mt -62.79 -39.48 94.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.67 -33.79 76.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.881 HG22 HD21 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -60.6 -47.91 84.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.362 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.566 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 5.2 ttm -61.91 -46.24 90.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.84 -20.41 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -79.17 -41.78 27.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.632 ' HB ' HD22 ' A' ' 152' ' ' LEU . 2.0 t -78.23 0.1 26.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.443 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.693 HG22 ' H ' ' A' ' 192' ' ' GLY . 1.4 p -54.57 -167.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.693 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -86.48 29.44 4.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.554 1.159 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . 0.429 ' N ' HG13 ' A' ' 191' ' ' VAL . . . 56.65 27.58 55.24 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 197' ' ' ALA . 0.8 OUTLIER -70.15 73.44 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 109.595 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -57.26 -43.66 83.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.67 77.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 194' ' ' HIS . . . -60.61 -48.98 79.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.401 ' SD ' ' O ' ' A' ' 194' ' ' HIS . 0.0 OUTLIER -58.23 -33.5 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -62.97 -54.72 33.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 24.0 mtm -68.83 -29.01 67.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.66 HD13 ' HA3' ' A' ' 269' ' ' GLY . 35.6 tp -72.18 -36.42 69.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -64.94 -35.1 80.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.5 tt0 -67.9 -45.35 74.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.236 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.11 -49.47 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.525 HD11 HG12 ' A' ' 266' ' ' ILE . 8.6 mt -60.82 -55.68 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -57.96 -32.55 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 0.7 OUTLIER -73.15 -29.71 63.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . 0.603 ' CD ' HD13 ' A' ' 268' ' ' LEU . 7.7 mm-40 -64.95 -38.42 90.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.568 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -69.94 -50.35 42.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.74 -47.9 76.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . 0.422 ' OE2' ' CG ' ' A' ' 207' ' ' GLU . 3.0 mt-10 -67.08 -34.56 77.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . 0.601 ' CZ2' ' CE1' ' A' ' 216' ' ' HIS . 63.3 t-105 -61.62 -65.29 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 107.995 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -56.09 -33.05 64.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -30.59 70.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.624 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.4 pp -105.94 -4.66 20.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . 0.601 ' CE1' ' CZ2' ' A' ' 212' ' ' TRP . 0.6 OUTLIER -113.41 92.11 22.1 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.566 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 218' ' ' VAL . 18.3 Cg_endo -74.95 52.7 3.1 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 111.035 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 218' ' ' VAL . 75.2 t 37.4 55.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -68.78 97.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.573 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . 0.507 ' CB ' ' OE2' ' A' ' 230' ' ' GLU . . . -169.74 162.31 9.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -109.64 -141.77 9.3 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.567 1.167 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 123.2 7.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.768 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.628 HD13 ' N ' ' A' ' 229' ' ' ARG . 1.4 pt -108.29 -179.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.777 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -61.4 154.06 65.74 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 106.6 2.31 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.44 1.758 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 101.9 -21.19 42.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.777 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 1.1 mp0 -58.15 -174.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 0.73 . . . . 0.0 110.238 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.865 ' HE2' ' CE2' ' A' ' 249' ' ' TRP . 8.0 ptt? -125.68 90.78 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 0.628 ' N ' HD13 ' A' ' 223' ' ' ILE . 0.2 OUTLIER -50.95 -177.49 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.545 1.153 . . . . 0.0 110.255 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.528 ' O ' ' CG ' ' A' ' 230' ' ' GLU . 6.2 pt-20 -36.82 113.25 0.59 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.377 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.429 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.3 Cg_endo -74.97 143.26 28.95 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -85.16 169.34 13.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.568 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -44.22 -39.24 5.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -42.07 87.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 110.036 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . 0.429 ' CB ' ' HB2' ' A' ' 231' ' ' PRO . 10.2 m-20 -61.11 -39.44 89.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.473 ' CG1' ' CG2' ' A' ' 258' ' ' VAL . 3.8 mt -60.28 -33.05 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.99 -15.04 62.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 79.12 25.97 58.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . 0.499 HG22 HG23 ' A' ' 240' ' ' THR . 0.8 OUTLIER -89.68 -38.29 13.99 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.462 0.742 . . . . 0.0 110.353 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . 0.499 HG23 HG22 ' A' ' 239' ' ' THR . 40.5 p -104.28 -0.7 27.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.93 141.92 40.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 245' ' ' GLU . 0.6 OUTLIER -74.19 172.08 12.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.417 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.625 HD13 HG12 ' A' ' 247' ' ' ILE . 2.9 tm? -69.89 -57.75 4.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.54 -28.4 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.426 ' HB2' HG22 ' A' ' 242' ' ' THR . 12.4 mt-10 -70.41 -48.81 54.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -67.33 -42.58 83.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.238 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.935 HD11 HG21 ' A' ' 180' ' ' THR . 38.8 mm -48.92 -57.35 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -61.03 -45.44 96.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.865 ' CE2' ' HE2' ' A' ' 228' ' ' MET . 0.1 OUTLIER -56.05 -31.29 63.03 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 10.5 ttm -67.32 -40.96 86.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.9 p -107.05 22.32 16.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 255' ' ' PRO . 54.1 t-80 -86.85 170.04 12.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 109.57 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 6.1 m-20 -120.78 112.0 34.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.5 Cg_endo -74.98 159.27 98.25 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.049 0.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.09 122.35 7.11 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . 0.52 HD13 ' CD1' ' A' ' 249' ' ' TRP . 6.8 mt -92.47 112.44 55.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.276 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.41 3.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.959 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.3 OUTLIER -64.91 -40.75 90.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -61.18 -40.21 98.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.46 -31.84 70.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 110.31 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.959 HD12 ' HA ' ' A' ' 258' ' ' VAL . 21.4 mt -63.31 -45.91 96.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . 0.67 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 34.4 t80 -73.34 -45.73 53.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -56.08 -37.26 69.09 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.586 1.179 . . . . 0.0 109.218 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -68.59 -34.37 75.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.591 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 52.6 m0 -62.2 -46.05 90.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 107.978 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.892 HG22 ' CD1' ' A' ' 270' ' ' LEU . 48.2 mt -56.95 -47.32 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.484 HD11 ' OG ' ' A' ' 173' ' ' SER . 0.3 OUTLIER -60.07 -32.92 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . 0.603 HD13 ' CD ' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -57.9 -57.77 11.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.66 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.07 -58.75 11.37 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.892 ' CD1' HG22 ' A' ' 266' ' ' ILE . 12.8 mt -43.0 -34.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.11 -47.75 78.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 269' ' ' GLY . 3.5 tttt -66.71 -38.47 86.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 270' ' ' LEU . 26.7 mt -62.28 -44.64 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 270' ' ' LEU . 97.3 t -64.38 -46.03 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.135 . . . . 0.0 109.216 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -60.89 -16.24 39.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.4 ttt -95.2 -37.9 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -95.67 16.95 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 12.3 p -72.04 152.69 92.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 104.14 1.85 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.47 1.774 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 21.1 m -152.84 -60.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.88 163.45 40.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 1.4 pt -139.69 153.3 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 4.3 tp -177.23 160.72 1.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -167.31 166.73 14.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.56 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -178.7 154.48 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.564 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -174.11 163.62 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -175.46 151.69 1.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.557 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 33.2 t60 56.9 165.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 109.59 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.627 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 52.45 176.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.25 168.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 63.03 172.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -135.66 -179.38 5.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 110.037 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.788 HG11 HG21 ' A' ' 34' ' ' ILE . 2.9 t -63.1 -49.38 83.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.621 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 11.7 mt -106.08 160.5 15.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.33 179.93 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.023 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.11 -57.55 19.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.155 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.12 -39.5 23.26 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -39.59 81.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.483 ' CD1' HD13 ' A' ' 31' ' ' LEU . 13.9 tp -69.92 -40.78 75.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -31.63 63.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.944 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -79.7 -42.06 25.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.851 ' CE3' HD12 ' A' ' 85' ' ' LEU . 31.5 t-105 -57.0 -62.37 1.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -56.43 -36.86 69.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -51.45 -48.43 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.944 HD12 ' O ' ' A' ' 15' ' ' LYS . 2.5 mp -56.0 143.36 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -100.58 164.05 12.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.363 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.651 HD21 ' CD1' ' A' ' 29' ' ' TYR . 15.8 mt -99.5 -148.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.45 171.92 7.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 130.15 12.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.79 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.25 -1.01 60.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.475 1.11 . . . . 0.0 110.98 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.15 -163.09 20.12 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' HB2' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -57.02 -36.72 70.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.41 0.712 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER 80.81 -3.43 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.347 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -149.23 143.5 25.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 0.0 110.346 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.738 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 1.5 m-85 -82.46 152.18 26.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -142.87 167.71 21.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.483 HD13 ' CD1' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -63.06 -27.47 69.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -45.84 92.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -63.18 -35.65 81.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.58 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.788 HG21 HG11 ' A' ' 7' ' ' VAL . 3.7 mt -62.88 -49.91 81.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.4 -41.4 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.442 ' CZ3' ' HA ' ' A' ' 78' ' ' LEU . 52.6 t90 -62.25 -37.67 86.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.003 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.604 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -58.83 -53.64 56.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.728 ' HA ' HD23 ' A' ' 51' ' ' LEU . 9.5 p -63.39 -34.77 78.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -60.52 -35.37 75.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 110.363 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.52 -34.33 69.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.838 ' O ' HG12 ' A' ' 46' ' ' VAL . 6.7 mt -57.81 -50.86 71.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 5.8 pt-20 -62.34 -31.72 72.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -76.23 -12.92 60.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.59 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 27.6 t80 -98.93 -0.18 42.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 76.72 25.58 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.838 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.8 p -114.95 150.51 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.84 135.12 96.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -18.89 18.33 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.521 1.801 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.52 -13.64 51.39 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.53 HD12 HG22 ' A' ' 46' ' ' VAL . 29.5 mt -71.49 -16.75 62.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.728 HD23 ' HA ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -85.76 -7.63 58.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -92.22 -21.68 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.24 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.1 p -125.43 147.58 49.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 110.42 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.57 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 15.5 t -70.11 -26.33 63.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -63.4 -50.16 70.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.718 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -67.87 -35.13 84.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.617 ' SG ' HG23 ' A' ' 82' ' ' ILE . 5.4 t -64.05 -41.82 97.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HG3' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -59.84 -36.47 76.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -29.94 70.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.774 HG21 HD13 ' A' ' 82' ' ' ILE . 1.1 mp -73.9 -74.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.594 ' N ' HG22 ' A' ' 60' ' ' ILE . 13.6 tp -40.81 -36.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.88 -49.11 79.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.451 1.095 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -95.79 22.48 7.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.356 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.517 HD23 ' CD2' ' A' ' 79' ' ' TYR . 14.8 tp -109.87 -26.95 9.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.598 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 5.7 tm0? -53.3 -45.1 98.57 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.08 -40.45 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.575 1.829 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.786 ' HA ' HG22 ' A' ' 70' ' ' THR . 44.1 m -68.7 -11.59 60.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.386 1.053 . . . . 0.0 110.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.966 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.2 mt -71.21 -43.22 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -73.5 -7.26 51.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.786 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.9 t -121.49 -4.73 9.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.887 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -78.8 -97.6 0.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 11.8 p 164.15 -172.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.508 0.769 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.402 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -62.48 -43.2 99.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 8.3 pt-20 -72.64 -38.6 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.887 HD13 ' HA2' ' A' ' 71' ' ' GLY . 4.9 tt -65.84 -34.7 78.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.5 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -62.3 -49.05 77.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.66 -35.43 65.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -60.79 -47.21 87.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.966 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.6 t80 -63.43 -41.12 98.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.627 ' CG ' HG22 ' A' ' 97' ' ' THR . 1.4 t-20 -61.67 -32.34 72.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.748 HG23 ' HH2' ' A' ' 16' ' ' TRP . 4.1 m -70.52 -47.13 61.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.404 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.774 HD13 HG21 ' A' ' 60' ' ' ILE . 72.8 mt -63.76 -42.5 96.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.112 . . . . 0.0 109.38 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 1.097 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -51.41 -53.47 36.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.533 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 3.8 t -58.9 -42.82 86.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.851 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.52 -40.98 75.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.405 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 31.8 t80 -59.91 -39.66 86.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.444 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -67.97 -36.98 80.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 0.0 108.301 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.9 t -66.33 -41.88 89.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 54' ' ' SER . 20.7 m80 -55.89 -40.12 72.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.577 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.46 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 0.4 OUTLIER -89.22 -14.86 34.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.298 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.48 39.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.46 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.3 mp -75.81 140.97 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.31 94.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.63 HG23 ' CG1' ' A' ' 19' ' ' ILE . 15.7 m -111.03 172.76 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.09 -51.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.396 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.12 170.44 11.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.627 HG22 ' CG ' ' A' ' 80' ' ' ASN . 54.1 m -60.41 -45.65 92.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.453 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -31.29 72.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.59 -38.62 88.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -67.69 -37.63 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.488 HD13 ' OD1' ' A' ' 80' ' ' ASN . 2.0 mp -54.43 -48.26 71.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -73.42 -40.4 64.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.216 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -63.31 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.097 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -55.28 -27.7 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.12 -54.03 49.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -46.71 89.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.94 -51.04 59.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.16 -52.88 61.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -52.96 -43.98 66.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -61.53 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.64 -43.69 17.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -57.39 -55.51 33.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -52.08 -55.07 23.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -49.94 34.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.41 -55.48 24.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -49.79 48.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -53.01 53.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.89 -58.12 8.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -43.79 -58.67 2.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -40.7 -53.18 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -57.41 -58.16 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.6 p -67.41 101.51 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 110.449 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -86.58 58.67 4.65 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.424 1.078 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -41.53 141.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 0.818 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -124.97 167.15 15.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.07 167.56 28.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -136.7 171.49 14.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.413 HG22 ' N ' ' A' ' 129' ' ' SER . 8.0 p -161.28 166.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.413 ' N ' HG22 ' A' ' 128' ' ' VAL . 8.4 t -155.27 167.19 31.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -159.96 171.42 19.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -160.9 166.77 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.563 ' CD2' ' HD2' ' A' ' 133' ' ' PRO . 0.8 OUTLIER -131.82 155.8 80.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.563 ' HD2' ' CD2' ' A' ' 132' ' ' TYR . 18.1 Cg_endo -74.99 -179.12 4.67 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.571 1.827 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 79.6 mt -140.38 132.67 32.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.6 p -112.78 150.05 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.91 163.45 40.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -171.35 167.75 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 138' ' ' LEU . 2.1 pt? -159.13 123.77 4.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -170.85 142.28 1.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -175.63 135.25 2.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -176.03 89.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.222 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.412 ' CE ' ' HA ' ' A' ' 142' ' ' MET . 33.9 mmt -67.35 168.79 10.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.558 HG22 ' H ' ' A' ' 144' ' ' HIS . 9.8 p -168.78 172.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.558 ' H ' HG22 ' A' ' 143' ' ' VAL . 8.7 p80 -66.79 103.09 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -111.46 122.97 49.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.89 174.28 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.524 HG12 HG21 ' A' ' 151' ' ' THR . 0.5 OUTLIER -84.95 143.11 12.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.03 160.69 51.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.08 14.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -65.02 -39.74 93.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.17 . . . . 0.0 110.339 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.524 HG21 HG12 ' A' ' 147' ' ' ILE . 1.0 OUTLIER -73.81 -38.29 64.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.851 HD11 HG21 ' A' ' 186' ' ' THR . 27.4 mt -65.57 -33.17 75.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -48.55 55.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.33 -49.15 78.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.642 ' HZ2' HG23 ' A' ' 191' ' ' VAL . 3.2 t90 -61.61 -49.69 75.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.038 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 152' ' ' LEU . 2.9 t -45.87 -44.22 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -60.22 -34.23 73.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 155' ' ' TRP . 96.9 t -72.04 -45.43 63.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.757 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 2.7 t -57.51 -44.61 85.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.613 1.196 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -36.16 68.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -55.53 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.691 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 11.3 mmtt -127.51 -52.25 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 159' ' ' VAL . . . 85.96 -47.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.523 ' CE2' ' HA3' ' A' ' 193' ' ' GLY . 11.8 m-85 -143.27 124.52 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.531 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER 177.99 171.38 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -19.44 17.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.545 1.813 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.07 0.05 55.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -103.72 -33.85 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.627 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 29.2 mm -53.09 -45.47 98.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -74.93 -37.65 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -31.72 72.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.599 ' CE2' ' SD ' ' A' ' 187' ' ' MET . 0.8 OUTLIER -64.85 -44.43 89.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.024 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 81.3 p -68.13 -31.05 70.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.72 91.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.398 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -77.22 -31.77 55.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.816 ' OG ' HD21 ' A' ' 184' ' ' LEU . 25.0 t -87.35 13.89 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.13 94.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 71.29 57.34 6.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.72 -175.82 2.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.896 HG21 HD11 ' A' ' 247' ' ' ILE . 0.5 OUTLIER -120.65 -174.61 0.3 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.555 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.4 Cg_endo -74.97 -41.99 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.15 -46.45 64.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -61.43 -49.22 77.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.816 HD21 ' OG ' ' A' ' 176' ' ' SER . 70.3 mt -65.77 -32.39 73.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 2.3 m-20 -62.0 -42.61 99.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.851 HG21 HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -61.13 -39.98 92.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.394 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.611 ' O ' ' CZ2' ' A' ' 155' ' ' TRP . 1.2 ttm -69.85 -45.95 66.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.505 HD13 HD13 ' A' ' 266' ' ' ILE . 0.3 OUTLIER -81.74 6.73 14.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 2.5 t30 -101.68 -46.36 4.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.465 HG22 ' CH2' ' A' ' 155' ' ' TRP . 1.6 t -97.49 7.78 45.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.85 HG11 ' CE ' ' A' ' 198' ' ' MET . 1.7 p -51.39 -175.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.367 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.666 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -154.05 79.91 0.19 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . 0.523 ' HA3' ' CE2' ' A' ' 164' ' ' PHE . . . -135.92 -62.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 171.78 129.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.628 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -58.0 -42.15 84.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.83 -49.38 75.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.1 79.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.85 ' CE ' HG11 ' A' ' 191' ' ' VAL . 5.7 mmt -58.03 -33.42 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -71.85 -54.53 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -58.98 -33.06 70.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.693 HD13 ' HA3' ' A' ' 269' ' ' GLY . 3.1 tp -69.68 -37.99 76.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -57.53 -39.6 76.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -40.17 88.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.38 -36.2 78.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.472 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 266' ' ' ILE . 24.5 mt -69.85 -55.33 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -57.88 -42.78 85.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 0.0 109.372 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.76 -35.7 81.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . 0.466 ' HG3' HD13 ' A' ' 268' ' ' LEU . 31.4 mm-40 -68.56 -27.57 66.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.824 ' HB1' ' C ' ' A' ' 233' ' ' GLY . . . -69.14 -50.19 50.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.22 80.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -38.63 91.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . 0.464 ' CZ2' ' CD2' ' A' ' 216' ' ' HIS . 58.9 t-105 -57.89 -62.33 1.89 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.27 -33.19 65.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -30.11 68.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.576 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.7 pp -106.68 -2.51 21.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . 0.464 ' CD2' ' CZ2' ' A' ' 212' ' ' TRP . 0.3 OUTLIER -112.1 95.55 30.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.563 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 0.553 HG12 ' HB3' ' A' ' 230' ' ' GLU . 22.3 m -73.29 139.4 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.48 56.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.601 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -61.42 154.38 24.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -93.36 -142.83 12.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.79 2.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.451 1.764 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.885 HD13 ' O ' ' A' ' 228' ' ' MET . 15.3 tt -104.1 161.57 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.879 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -69.55 150.64 96.85 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 98.36 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.533 1.807 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 112.54 -11.89 25.72 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.879 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 0.0 OUTLIER -69.73 -56.02 8.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.885 ' O ' HD13 ' A' ' 223' ' ' ILE . 0.0 OUTLIER 176.12 -176.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 230' ' ' GLU . 1.8 ptt180 167.18 85.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.553 ' HB3' HG12 ' A' ' 218' ' ' VAL . 8.5 mm-40 36.52 89.91 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.427 ' HB2' ' CB ' ' A' ' 235' ' ' ASP . 18.3 Cg_endo -75.05 141.98 27.14 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . 0.427 ' CG ' ' OD1' ' A' ' 235' ' ' ASP . 13.8 ptt180 -85.8 171.25 11.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.824 ' C ' ' HB1' ' A' ' 209' ' ' ALA . . . -46.02 -38.3 8.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 237' ' ' ALA . 57.9 m -66.96 -36.18 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . 0.427 ' OD1' ' CG ' ' A' ' 232' ' ' ARG . 1.7 m-20 -69.45 -48.04 62.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.429 ' HA ' ' NE2' ' A' ' 246' ' ' GLN . 12.1 mt -60.56 -18.47 16.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . . . -75.39 -20.68 58.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.595 1.184 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 97.14 17.68 31.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.29 -38.22 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 24.2 m -114.58 -0.27 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 75.5 m -134.27 145.4 49.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.595 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.4 OUTLIER -90.19 176.68 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.601 HD11 ' CD1' ' A' ' 247' ' ' ILE . 3.4 tm? -69.37 -51.62 34.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -50.8 -52.89 36.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.469 ' H ' HG22 ' A' ' 242' ' ' THR . 8.6 mt-10 -61.06 -31.08 70.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . 0.438 ' CD ' ' CG1' ' A' ' 258' ' ' VAL . 0.8 OUTLIER -69.18 -72.59 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.896 HD11 HG21 ' A' ' 180' ' ' THR . 0.6 OUTLIER -42.74 -33.91 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -61.84 -51.8 54.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.6 ' CD1' HD13 ' A' ' 256' ' ' ILE . 0.8 OUTLIER -65.63 -33.35 75.69 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . 0.45 ' CE ' HG13 ' A' ' 247' ' ' ILE . 0.9 OUTLIER -57.56 -35.78 70.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.7 p -118.06 22.12 12.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 83.1 t60 -79.94 170.13 16.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.488 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 1.9 m-20 -120.57 111.52 34.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -74.94 159.46 97.96 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.029 -0.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.4 Cg_endo -75.0 124.9 8.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . 0.6 HD13 ' CD1' ' A' ' 249' ' ' TRP . 4.6 mt -101.53 136.42 19.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.671 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.0 Cg_endo -75.02 59.09 5.11 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.597 1.841 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 259' ' ' GLY . 2.5 t -65.2 -68.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . 0.469 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -63.31 -31.81 82.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.067 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.26 -36.14 76.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 257' ' ' PRO . 7.0 mt -63.65 -42.24 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . 0.569 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 0.4 OUTLIER -63.98 -39.36 93.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.074 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 264' ' ' ARG . 0.1 OUTLIER -62.34 -45.51 92.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 263' ' ' LYS . 0.2 OUTLIER -55.22 -36.47 66.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.311 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.614 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 46.5 m0 -61.95 -43.29 99.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.054 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.97 HG22 HD11 ' A' ' 270' ' ' LEU . 90.1 mt -57.81 -47.82 85.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -29.75 44.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . 0.466 HD13 ' HG3' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -57.92 -59.56 5.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.256 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.693 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.27 -58.86 10.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.97 HD11 HG22 ' A' ' 266' ' ' ILE . 11.4 mt -42.7 -35.93 1.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 0.737 . . . . 0.0 109.329 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.29 -47.35 82.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 269' ' ' GLY . 7.3 tptt -66.12 -37.56 86.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 0.902 HD12 ' HA ' ' A' ' 270' ' ' LEU . 16.4 mt -62.39 -46.07 97.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 270' ' ' LEU . 74.1 t -62.98 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -63.71 -16.33 60.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -92.21 -38.01 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 277' ' ' TYR . 16.3 t80 -97.48 15.48 23.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.6 151.44 52.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.2 4.77 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.538 1.81 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 15.0 t -138.77 156.54 47.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.358 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 65.4 p -132.24 170.48 14.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.96 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -82.4 138.54 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 1.2 tt -176.04 130.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -178.26 167.04 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.551 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -151.22 174.09 13.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.653 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -141.14 160.25 40.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.609 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -177.85 156.37 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.619 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.0 168.02 20.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.581 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.623 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.2 158.77 18.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 0.808 . . . . 0.0 109.274 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.94 56.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -170.82 176.02 4.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.42 58.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.907 HG11 HG21 ' A' ' 34' ' ' ILE . 2.9 t -114.61 -64.7 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.605 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 10.7 mt -98.35 151.55 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -85.81 179.74 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.72 -57.67 18.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -41.07 27.37 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.49 -39.54 84.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.236 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.622 ' CD1' HD11 ' A' ' 31' ' ' LEU . 7.2 tp -66.87 -41.23 87.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 37.0 t0 -55.84 -32.04 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -44.92 35.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.758 ' CE3' HD12 ' A' ' 85' ' ' LEU . 53.3 t-105 -56.58 -61.38 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.91 -21.76 45.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 18' ' ' LYS . 7.5 tttt -90.52 40.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.891 HD13 HG13 ' A' ' 84' ' ' VAL . 56.8 mt -141.46 145.88 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -91.19 150.4 21.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.816 HD23 ' H ' ' A' ' 21' ' ' LEU . 1.3 pt? -112.03 -125.86 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.573 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -176.65 -58.17 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.226 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.573 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.94 129.96 12.89 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.422 1.748 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.22 -1.63 59.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' ARG . . . 153.0 -128.03 2.35 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.77 36.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 16.7 tttt -104.1 -121.51 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.688 ' C ' HD22 ' A' ' 21' ' ' LEU . 4.3 pt20 -129.0 158.41 38.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 16' ' ' TRP . 3.1 m-85 -73.64 156.03 38.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.442 1.089 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -130.57 173.96 10.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.622 HD11 ' CD1' ' A' ' 13' ' ' LEU . 2.6 mm? -61.04 -28.04 68.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.61 -45.55 93.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -62.93 -35.68 80.9 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.574 1.171 . . . . 0.0 109.594 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.907 HG21 HG11 ' A' ' 7' ' ' VAL . 3.5 mt -62.56 -49.53 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -51.46 -43.3 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.409 ' CZ2' ' OE2' ' A' ' 40' ' ' GLU . 61.6 t90 -62.7 -40.72 98.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.816 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.1 -53.0 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.204 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.782 ' HA ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -61.33 -35.58 77.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.41 1.069 . . . . 0.0 109.977 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -41.08 95.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.409 ' OE2' ' CZ2' ' A' ' 36' ' ' TRP . 1.6 mt-10 -63.11 -37.5 87.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 38' ' ' SER . 17.8 mt -61.25 -45.09 95.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -56.89 -35.58 69.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -24.71 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.596 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.8 OUTLIER -75.98 -3.95 38.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 111.043 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 77.62 22.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.63 HG22 HD12 ' A' ' 50' ' ' LEU . 5.0 p -116.59 147.42 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.95 138.13 97.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -18.69 18.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.11 -12.18 54.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.434 1.084 . . . . 0.0 111.006 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.63 HD12 HG22 ' A' ' 46' ' ' VAL . 23.5 mt -76.36 -17.56 59.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.796 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.737 HD13 HD11 ' A' ' 41' ' ' LEU . 8.1 tp -90.71 -4.79 56.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.03 -22.09 27.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.85 160.82 28.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.482 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.513 ' HB2' ' CG ' ' A' ' 89' ' ' HIS . 4.9 t -69.89 -32.6 71.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 110.034 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.13 -49.76 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.615 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -61.61 -41.54 99.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.709 ' SG ' HD12 ' A' ' 51' ' ' LEU . 1.3 m -64.08 -41.91 97.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -59.95 -41.74 92.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -38.86 91.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.382 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.713 HG12 HD22 ' A' ' 41' ' ' LEU . 1.1 mp -71.97 -73.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.585 HD11 ' CE1' ' A' ' 79' ' ' TYR . 11.6 tp -41.61 -37.62 1.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.23 -48.99 83.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.02 22.97 8.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 0.0 110.308 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD23 ' CD2' ' A' ' 79' ' ' TYR . 14.2 tp -108.71 -25.49 10.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.598 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 tm0? -53.51 -45.57 98.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.99 -39.93 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.809 ' HA ' HG22 ' A' ' 70' ' ' THR . 36.8 m -68.65 -12.06 60.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.029 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.938 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.7 mt -71.22 -43.74 66.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -7.0 51.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.809 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.9 t -119.97 -5.15 10.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.418 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.6 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.42 -99.04 0.4 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.3 p 168.37 -176.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -41.08 96.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -71.23 -46.91 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.6 HD13 ' CA ' ' A' ' 71' ' ' GLY . 8.4 tt -60.68 -34.14 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.543 ' HA ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.37 -43.4 98.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.9 t -62.09 -30.73 71.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -65.75 -47.17 76.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.938 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.7 t80 -58.87 -42.87 90.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -57.02 -37.75 72.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.816 HG21 ' HB2' ' A' ' 37' ' ' ALA . 79.5 m -60.18 -48.0 83.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mt -67.05 -37.9 80.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.908 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -57.28 -58.52 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 109.358 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.891 HG13 HD13 ' A' ' 19' ' ' ILE . 3.2 t -58.23 -42.3 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.758 HD12 ' CE3' ' A' ' 16' ' ' TRP . 2.5 mp -56.98 -36.12 69.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -60.16 -53.26 59.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 111.054 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -33.11 72.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.0 t -66.16 -38.55 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.513 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 0.7 OUTLIER -57.82 -40.18 79.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.448 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 1.9 mm-40 -91.41 -8.45 47.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 64.27 43.32 4.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.448 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.2 mp -75.92 141.43 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -62.95 95.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.2 m -117.1 174.01 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 19' ' ' ILE . 3.3 tttp -140.26 -58.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.475 ' OD2' ' CB ' ' A' ' 98' ' ' LYS . 3.6 p-10 -121.96 170.7 9.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.53 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 2.4 m -60.35 -44.41 95.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.433 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.475 ' CB ' ' OD2' ' A' ' 96' ' ' ASP . 0.3 OUTLIER -57.13 -32.95 66.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.415 1.072 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.45 -33.09 73.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.338 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.857 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -71.0 -39.73 72.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.64 -47.54 79.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.71 -41.22 65.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -63.03 -62.12 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.908 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.9 pt -55.83 -27.97 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.55 -54.0 51.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.38 -48.92 79.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -51.98 -51.03 59.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -55.39 -52.92 61.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -52.97 -43.89 66.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -58.89 -55.96 28.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.87 -50.31 46.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.936 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -50.99 -53.11 36.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.346 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.426 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -54.28 -49.55 69.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 118' ' ' ALA . 0.8 OUTLIER -60.63 -18.12 51.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 112' ' ' LYS . . . -85.23 -67.08 0.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 113' ' ' LYS . 20.6 pt20 -47.13 -41.81 18.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.231 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -70.17 -37.75 75.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.692 ' O ' HG23 ' A' ' 122' ' ' THR . . . -63.09 -39.61 95.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.71 -43.11 99.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.217 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.53 3.09 42.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.37 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -96.64 -42.43 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 118' ' ' ALA . 75.3 p -38.63 154.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 105.32 -150.14 16.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 59.45 92.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.443 0.731 . . . . 0.0 109.265 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 19.0 t30 62.72 92.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.85 169.87 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -149.52 156.85 42.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.7 p -162.34 149.08 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.36 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.9 p -163.48 168.33 20.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.49 165.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 64.0 t30 177.59 166.28 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.527 ' CD2' ' HD2' ' A' ' 133' ' ' PRO . 0.2 OUTLIER -146.47 155.82 49.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.527 ' HD2' ' CD2' ' A' ' 132' ' ' TYR . 18.3 Cg_endo -75.0 -179.25 4.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.578 1.831 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.0 tp -173.87 149.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 135' ' ' VAL . 9.4 p -129.27 114.77 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -178.74 148.89 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -166.52 110.58 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.58 104.87 0.2 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -148.07 171.43 15.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -119.88 74.44 0.32 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.6 167.18 13.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 110.261 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 85.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.9 t -140.88 134.0 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.611 ' CG ' HG21 ' A' ' 247' ' ' ILE . 22.3 m80 -83.33 143.25 30.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.581 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -81.29 148.13 29.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.48 -170.15 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.692 ' CG2' HG21 ' A' ' 186' ' ' THR . 1.4 tt -77.65 144.01 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.0 163.36 46.22 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -24.68 12.52 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.448 1.762 . . . . 0.0 111.054 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -61.13 -45.12 95.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.519 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -70.14 -40.27 74.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.38 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.991 HD21 HG22 ' A' ' 186' ' ' THR . 23.7 mt -62.72 -33.97 76.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.32 -39.66 92.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.73 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -64.75 -46.44 82.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.524 ' CH2' ' CD2' ' A' ' 172' ' ' PHE . 1.3 t-105 -61.43 -48.62 80.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 108.007 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 152' ' ' LEU . 53.3 t -47.25 -41.78 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -70.51 -32.13 69.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 154' ' ' ALA . 89.5 t -66.15 -45.11 91.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.596 HG21 ' HA ' ' A' ' 191' ' ' VAL . 16.9 t -70.18 -46.41 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -16.53 64.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.262 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -82.94 -51.39 7.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.713 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -124.49 -52.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.36 -48.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 164' ' ' PHE . 17.8 p90 -150.01 113.26 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.485 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -170.76 171.17 2.73 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.969 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -18.65 18.51 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.06 1.61 55.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.954 HG22 ' CE1' ' A' ' 172' ' ' PHE . 0.3 OUTLIER -104.6 -34.19 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.639 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 16.0 mm -55.64 -44.79 99.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.1 Cg_endo -75.03 -37.71 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -34.94 77.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.954 ' CE1' HG22 ' A' ' 168' ' ' VAL . 5.4 m-30 -64.87 -42.71 94.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.05 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.5 p -70.88 -31.06 67.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.999 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.47 93.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.46 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -75.3 -29.75 60.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.927 ' OG ' HD21 ' A' ' 184' ' ' LEU . 16.0 t -87.76 14.24 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.979 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -44.92 98.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 60.76 59.01 10.93 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.06 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -100.36 -177.82 3.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 0.726 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.736 HG21 HD11 ' A' ' 247' ' ' ILE . 0.2 OUTLIER -110.31 -173.89 0.28 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.5 Cg_endo -74.93 -41.81 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.441 1.758 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -70.15 -64.75 0.83 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -43.57 -39.21 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.927 HD21 ' OG ' ' A' ' 176' ' ' SER . 23.0 mt -66.88 -48.93 67.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -54.75 -36.18 64.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.991 HG22 HD21 ' A' ' 152' ' ' LEU . 0.7 OUTLIER -61.17 -44.23 97.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 110.358 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.505 ' HG2' ' CD2' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -62.58 -45.72 91.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.462 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 2.7 mp -56.65 -25.85 54.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -72.51 -47.7 46.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.493 ' HB ' HG22 ' A' ' 156' ' ' VAL . 0.9 OUTLIER -64.82 -9.97 24.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.596 ' HA ' HG21 ' A' ' 159' ' ' VAL . 0.7 OUTLIER -54.23 -168.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.579 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -84.37 22.98 7.71 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.556 1.16 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 191' ' ' VAL . . . 57.97 27.94 60.23 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 197' ' ' ALA . 30.4 m-70 -69.52 74.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.625 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.53 -43.29 84.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.39 75.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 194' ' ' HIS . . . -60.87 -48.7 80.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.462 ' CE ' ' HG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -57.99 -32.97 68.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.15 -55.13 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 31.4 mtm -61.82 -46.52 89.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.634 HD13 ' HA3' ' A' ' 269' ' ' GLY . 1.9 tp -62.8 -35.86 81.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -56.03 -40.64 73.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 1.7 tt0 -66.79 -37.15 84.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.6 -37.68 73.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.609 HG23 ' HE3' ' A' ' 265' ' ' TRP . 6.3 mt -70.34 -56.58 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.94 -42.98 86.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 48.4 tt0 -68.59 -29.3 67.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.21 -35.24 79.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.473 ' HB1' ' HA3' ' A' ' 233' ' ' GLY . . . -72.74 -50.11 26.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.604 1.19 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.12 75.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -69.08 -34.59 75.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . 0.565 ' CE3' HD11 ' A' ' 215' ' ' LEU . 26.5 t-105 -60.45 -65.2 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.037 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -56.3 -33.21 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.237 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -58.91 -34.7 71.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 215' ' ' LEU . 2.0 pp -106.74 -3.28 20.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.332 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 212' ' ' TRP . 2.4 t60 -113.05 93.19 24.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.622 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 114.19 3.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.546 1.814 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 0.709 ' O ' HG12 ' A' ' 218' ' ' VAL . 69.0 t -103.33 47.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 48.0 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -105.0 147.51 27.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . 0.404 ' HA2' ' HD3' ' A' ' 222' ' ' PRO . . . 109.64 139.43 8.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . 0.404 ' HD3' ' HA2' ' A' ' 221' ' ' GLY . 18.4 Cg_endo -74.95 142.93 28.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.572 1.827 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.917 HD13 ' HA ' ' A' ' 228' ' ' MET . 1.3 pp -64.5 -176.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 223' ' ' ILE . . . -95.7 157.77 35.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.97 2.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 97.42 -22.32 41.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.155 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.657 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 9.4 mm100 -106.94 60.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.374 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.917 ' HA ' HD13 ' A' ' 223' ' ' ILE . 0.0 OUTLIER -55.56 90.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 104.74 17.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.5 ' HB3' HG13 ' A' ' 218' ' ' VAL . 0.1 OUTLIER 71.83 67.74 0.34 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.473 ' CB ' ' CB ' ' A' ' 235' ' ' ASP . 18.2 Cg_endo -75.08 134.12 17.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . 0.631 ' HG3' HG21 ' A' ' 218' ' ' VAL . 2.7 mpp_? -87.0 -172.49 4.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.473 ' HA3' ' HB1' ' A' ' 209' ' ' ALA . . . -52.78 -38.48 53.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . 0.774 ' O ' HG22 ' A' ' 239' ' ' THR . 0.3 OUTLIER -65.29 -47.58 76.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.946 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . 0.473 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.3 m-20 -59.61 -43.68 93.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.625 1.203 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 232' ' ' ARG . 4.0 mt -60.39 -24.29 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -72.44 -22.92 61.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 100.44 16.89 25.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 234' ' ' SER . 10.2 t -82.56 -37.58 24.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 1.3 m -110.28 -2.94 16.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 3.3 t -136.56 147.85 47.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.93 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.404 HG22 ' CG ' ' A' ' 245' ' ' GLU . 1.8 t -93.6 -177.99 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.449 HD22 HD12 ' A' ' 247' ' ' ILE . 3.0 tm? -69.79 -56.0 8.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -47.1 -49.91 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.453 ' HB3' ' CE ' ' A' ' 228' ' ' MET . 22.5 mt-10 -65.35 -31.37 72.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . 0.482 ' HG3' ' CG1' ' A' ' 258' ' ' VAL . 1.3 tp-100 -62.71 -63.89 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.736 HD11 HG21 ' A' ' 180' ' ' THR . 1.0 OUTLIER -53.24 -41.22 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.22 -42.92 98.88 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.507 1.129 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.585 ' CZ2' ' HG3' ' A' ' 228' ' ' MET . 0.6 OUTLIER -65.05 -35.54 81.51 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 26.5 mtm -66.11 -28.24 68.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 73.8 p -118.45 21.93 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.544 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 20.6 t-80 -88.9 169.45 11.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.649 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.544 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 5.1 m-80 -120.28 112.01 34.79 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.98 159.57 97.81 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.054 -2.478 . . . . 0.0 111.067 0.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.47 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -75.0 119.67 5.75 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.543 1.812 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 4.0 mt -95.83 122.74 57.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.706 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.4 Cg_endo -74.98 53.92 3.47 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.408 1.741 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 259' ' ' GLY . 0.3 OUTLIER -65.97 -50.5 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . 0.514 ' N ' ' CG1' ' A' ' 258' ' ' VAL . . . -66.67 -38.57 93.31 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -69.44 -31.92 70.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 257' ' ' PRO . 7.1 mt -63.13 -43.52 98.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . 0.544 ' CD2' ' HB3' ' A' ' 181' ' ' PRO . 0.2 OUTLIER -64.22 -44.13 92.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.614 ' HB2' HD11 ' A' ' 184' ' ' LEU . 0.3 OUTLIER -60.92 -43.47 98.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -34.51 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.609 ' HE3' HG23 ' A' ' 205' ' ' ILE . 43.2 m0 -66.22 -43.04 87.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 108.017 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.954 HG22 HD11 ' A' ' 270' ' ' LEU . 66.7 mt -57.36 -47.97 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.586 HG13 HG23 ' A' ' 169' ' ' ILE . 1.2 mp -60.59 -30.45 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -59.96 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.634 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.09 -57.8 15.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.954 HD11 HG22 ' A' ' 266' ' ' ILE . 13.3 mt -42.48 -36.31 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . 0.408 ' ND2' HG21 ' A' ' 169' ' ' ILE . 1.2 m-80 -63.91 -47.8 79.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 269' ' ' GLY . 15.4 tttp -64.23 -43.29 95.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 270' ' ' LEU . 9.2 mt -58.94 -43.69 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 270' ' ' LEU . 22.6 t -64.87 -46.0 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -16.35 20.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -96.94 -37.92 10.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.586 1.179 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.54 17.81 12.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.08 154.99 92.22 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 23.9 m -124.43 141.97 51.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.366 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 50.4 p -135.23 164.56 27.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.047 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.67 153.2 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.614 1.196 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.43 141.4 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -99.16 170.84 8.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.616 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -153.44 170.7 20.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 67.99 113.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.62 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.51 152.14 51.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.624 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 74.75 -63.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.646 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.596 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.06 128.92 8.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? 62.64 103.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -102.13 72.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -144.8 -179.42 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.997 HG11 HG21 ' A' ' 34' ' ' ILE . 8.5 t -62.98 -48.86 86.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.618 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 14.4 mt -108.66 150.03 28.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.65 179.44 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.958 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.53 -58.24 15.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.8 -41.23 29.07 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.853 ' OE1' HG12 ' A' ' 88' ' ' VAL . 4.5 mm-40 -59.62 -35.15 73.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.836 HD21 HD21 ' A' ' 31' ' ' LEU . 3.9 tp -72.77 -34.37 66.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.96 -31.73 67.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' HB3' HG22 ' A' ' 88' ' ' VAL . 1.9 mmtp -77.14 -46.07 24.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.842 ' CE3' HD12 ' A' ' 85' ' ' LEU . 64.1 t-105 -58.37 -38.27 76.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.055 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -71.5 -25.59 62.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' O ' HD13 ' A' ' 19' ' ' ILE . 2.6 tttp -87.63 47.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.516 HG21 HG11 ' A' ' 84' ' ' VAL . 2.3 mm -132.59 133.82 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -95.71 141.01 29.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 21' ' ' LEU . 3.0 mt -85.99 -126.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.491 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 170.11 -54.58 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.99 124.83 8.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.46 -0.93 61.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.33 -109.87 0.64 Allowed Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.41 62.97 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 0.76 . . . . 0.0 109.241 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -92.49 -170.75 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 3.4 pm0 -120.44 143.52 48.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CG ' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -53.06 148.97 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.194 . . . . 0.0 111.019 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -138.2 171.0 15.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.836 HD21 HD21 ' A' ' 13' ' ' LEU . 2.1 mm? -62.05 -26.5 68.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -61.7 -43.07 99.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -65.81 -35.95 82.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.997 HG21 HG11 ' A' ' 7' ' ' VAL . 5.0 mt -64.11 -50.57 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 t -51.21 -44.42 29.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -62.67 -39.83 95.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.632 1.207 . . . . 0.0 107.958 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.514 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.44 -50.28 74.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -34.74 78.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.085 . . . . 0.0 109.973 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -41.25 94.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -34.9 79.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.959 ' O ' HG12 ' A' ' 46' ' ' VAL . 76.5 mt -60.95 -47.79 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.218 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -39.71 75.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.441 1.088 . . . . 0.0 110.245 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.3 -37.95 76.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.556 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 19.9 t80 -76.02 -4.4 41.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 74.53 44.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.358 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.959 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.9 p -124.88 150.07 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.18 132.25 95.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -18.84 18.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.537 1.809 . . . . 0.0 111.052 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.34 -11.48 56.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.411 HD12 HG22 ' A' ' 46' ' ' VAL . 27.3 mt -72.53 -32.53 66.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.665 HD11 HD22 ' A' ' 85' ' ' LEU . 10.2 tp -78.88 -16.59 56.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -74.96 -22.03 58.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.0 p -125.85 157.32 37.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.416 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.559 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 6.9 t -70.12 -30.77 68.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.07 -45.38 93.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.643 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -68.43 -36.66 84.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.576 ' SG ' HD12 ' A' ' 51' ' ' LEU . 1.8 m -63.8 -41.45 97.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -41.3 91.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -36.36 83.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.778 HG21 HD13 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -71.99 -73.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.228 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' A' ' 79' ' ' TYR . 10.8 tp -45.45 -32.94 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.368 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.24 -49.01 78.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -98.32 22.05 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.37 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 78' ' ' LEU . 14.1 tp -110.38 -23.87 10.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.603 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 7.9 tm0? -53.95 -45.18 99.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.324 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.96 -39.86 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.781 ' HA ' HG22 ' A' ' 70' ' ' THR . 48.8 m -67.93 -11.17 58.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.876 HD11 ' CG ' ' A' ' 79' ' ' TYR . 9.1 mt -68.78 -46.36 68.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -75.81 -6.73 52.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.781 HG22 ' HA ' ' A' ' 67' ' ' SER . 1.2 t -114.86 -7.68 12.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 110.483 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.618 ' HA3' HD12 ' A' ' 75' ' ' LEU . . . -83.51 -99.45 0.56 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.427 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.7 p 167.18 -173.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.72 -41.98 96.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -72.04 -47.5 51.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 110.348 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.651 ' C ' HD13 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -59.31 -33.51 71.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.504 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 1.8 ttp180 -62.56 -45.24 93.84 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.57 1.169 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -31.98 67.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.614 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -65.17 -47.09 78.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.394 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.876 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.1 t80 -64.75 -43.43 93.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.758 ' OD1' HD13 ' A' ' 101' ' ' LEU . 1.5 t-20 -57.51 -30.66 65.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.528 HG23 ' CH2' ' A' ' 16' ' ' TRP . 75.4 m -69.41 -48.13 61.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.364 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.778 HD13 HG21 ' A' ' 60' ' ' ILE . 10.6 mt -65.76 -34.7 72.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.907 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -55.28 -58.77 6.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.578 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.6 t -58.17 -41.07 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.842 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.64 -39.05 73.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.367 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -61.72 -52.45 64.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.609 ' SG ' HG22 ' A' ' 104' ' ' ILE . 0.7 OUTLIER -59.02 -35.46 73.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 108.3 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.853 HG12 ' OE1' ' A' ' 12' ' ' GLU . 4.3 t -63.33 -40.44 89.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 54' ' ' SER . 44.7 m-70 -56.31 -40.27 74.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.54 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.456 ' CB ' ' CD1' ' A' ' 92' ' ' ILE . 6.3 mm-40 -91.16 -9.2 46.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.358 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 64.89 43.75 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.456 ' CD1' ' CB ' ' A' ' 90' ' ' GLN . 2.0 mp -76.04 141.45 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.74 92.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.8 m -111.38 173.42 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -137.25 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -123.01 171.3 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.693 HG22 ' CG ' ' A' ' 80' ' ' ASN . 57.9 m -58.86 -48.7 80.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.365 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -32.11 67.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.578 1.174 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -68.61 -34.46 75.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.872 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -71.17 -38.52 72.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.758 HD13 ' OD1' ' A' ' 80' ' ' ASN . 0.5 OUTLIER -56.2 -52.09 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -70.57 -41.05 72.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -61.25 -61.83 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.907 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 2.3 pt -56.14 -27.71 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -56.16 -53.82 52.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.53 -46.71 88.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -51.05 59.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -52.93 61.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 0.0 110.341 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -52.96 -43.8 66.63 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -58.98 -56.05 27.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.78 -50.6 44.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.27 -54.32 32.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -51.13 -53.76 31.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -50.7 41.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.53 -55.03 28.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -49.67 -49.8 45.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.323 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.596 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 2.0 mm100 -55.51 -51.56 66.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.08 -55.88 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.0 -22.87 61.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 117' ' ' GLN . . . -75.89 -21.4 57.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -94.31 -52.82 4.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.0 m 57.02 160.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 110.422 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -90.68 57.82 3.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.602 1.189 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -175.04 94.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.271 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 174.5 154.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.79 136.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -178.95 133.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.3 p -173.92 142.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.84 128.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 0.0 109.981 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.15 128.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 178.71 140.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -174.5 93.48 0.31 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 153.27 41.22 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.575 1.829 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 15.8 pt -141.18 171.47 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 66.1 t 63.25 95.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.606 1.191 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.76 95.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.2 p30 176.84 160.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.67 ' C ' HD22 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -175.13 157.17 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.627 ' N ' HD22 ' A' ' 138' ' ' LEU . 0.1 OUTLIER -165.89 170.36 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -140.6 145.65 16.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -173.77 170.85 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.4 ptp -58.48 165.83 1.99 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 143' ' ' VAL . 35.4 m -152.0 111.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.564 ' HB2' HG21 ' A' ' 247' ' ' ILE . 49.1 t60 -71.01 142.66 50.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.569 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -82.07 148.09 28.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.603 1.19 . . . . 0.0 110.239 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.58 -175.91 2.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.596 HG12 HG21 ' A' ' 151' ' ' THR . 2.2 tt -81.81 143.86 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.32 164.56 40.34 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -25.09 12.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -64.52 -36.98 85.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.596 HG21 HG12 ' A' ' 147' ' ' ILE . 0.4 OUTLIER -71.43 -44.42 64.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.899 ' O ' HG23 ' A' ' 156' ' ' VAL . 18.9 mt -58.73 -41.19 85.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -68.24 -36.43 79.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.48 73.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.61 ' CE2' HG23 ' A' ' 159' ' ' VAL . 25.9 t-105 -62.76 -48.57 78.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 107.965 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 152' ' ' LEU . 41.4 t -44.87 -43.13 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -38.73 92.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.403 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 155' ' ' TRP . 71.8 t -63.97 -45.16 97.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.68 HG11 ' N ' ' A' ' 192' ' ' GLY . 22.7 t -64.04 -42.32 95.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -64.93 -38.03 89.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -57.88 10.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.749 ' O ' HG21 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -160.69 64.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.649 ' O ' HG11 ' A' ' 168' ' ' VAL . . . -35.98 -46.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.45 ' O ' ' CD2' ' A' ' 164' ' ' PHE . 20.1 p90 -113.69 105.55 13.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.636 ' N ' HG22 ' A' ' 274' ' ' VAL . 1.4 p -174.06 164.69 2.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.32 18.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.12 3.52 51.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.749 HG21 ' O ' ' A' ' 162' ' ' LYS . 0.3 OUTLIER -106.18 -33.37 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 4.9 mm -60.21 -43.59 94.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.03 -36.0 2.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.438 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 5.8 mmm -61.85 -42.09 98.62 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.576 1.172 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.615 ' HE2' HD12 ' A' ' 267' ' ' ILE . 1.5 t80 -57.48 -44.45 84.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 53.2 p -59.84 -34.68 73.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 171' ' ' MET . . . -59.76 -45.85 90.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.354 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.32 -21.0 54.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.6 p -87.83 13.74 10.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.74 102.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.356 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 42.29 70.96 0.42 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.531 ' HB3' HD21 ' A' ' 184' ' ' LEU . . . -103.66 -175.46 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.999 HG21 HD11 ' A' ' 247' ' ' ILE . 1.3 p -117.65 -176.92 0.41 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.653 ' HA ' ' CE2' ' A' ' 262' ' ' TYR . 18.3 Cg_endo -75.06 -44.27 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -69.88 -51.77 30.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.36 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.99 -48.97 72.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 179' ' ' ALA . 82.4 mt -66.49 -39.89 88.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.58 1.175 . . . . 0.0 109.226 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -54.98 -33.43 62.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.795 ' CG2' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -73.31 -37.46 66.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 1.0 OUTLIER -61.47 -43.4 98.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.959 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.667 HD11 HG12 ' A' ' 266' ' ' ILE . 53.3 mt -84.41 -24.08 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -53.6 -43.27 68.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 191' ' ' VAL . 9.9 t -95.75 -56.23 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.382 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.896 HG21 ' CE ' ' A' ' 198' ' ' MET . 0.3 OUTLIER 39.79 -163.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.732 ' N ' HG13 ' A' ' 191' ' ' VAL . . . -178.25 40.53 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . 0.456 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -120.76 30.03 5.65 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 1.3 t60 84.55 131.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 0.795 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -37.73 80.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.52 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.473 ' HA ' ' CE ' ' A' ' 200' ' ' MET . . . -58.69 -49.76 76.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.896 ' CE ' HG21 ' A' ' 191' ' ' VAL . 0.3 OUTLIER -59.84 -33.04 71.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 0.0 111.025 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.31 -54.9 29.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.157 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 197' ' ' ALA . 3.5 ptp -63.26 -28.34 69.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.81 ' HB2' HD11 ' A' ' 273' ' ' ILE . 3.2 tp -71.77 -43.11 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -61.76 -32.58 72.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -46.5 73.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.341 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.76 -40.16 84.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.805 HD11 ' HA ' ' A' ' 266' ' ' ILE . 13.6 mt -64.43 -55.35 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -58.99 -42.04 89.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.71 -29.47 70.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . 0.661 ' HG3' HD13 ' A' ' 268' ' ' LEU . 2.8 mm-40 -62.41 -42.6 99.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.236 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.475 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -65.38 -47.76 75.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.97 74.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . . . . . . . . . 21.6 t-105 -61.12 -51.56 68.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 107.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -38.07 73.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -59.65 -41.58 90.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . . . . . . . . . 1.8 mt -83.69 -0.85 52.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . 0.647 ' CD2' ' NH2' ' A' ' 232' ' ' ARG . 0.3 OUTLIER -111.91 96.25 32.77 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.573 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 82.29 2.04 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.502 1.79 . . . . 0.0 111.026 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 0.578 HG21 ' HD3' ' A' ' 232' ' ' ARG . 26.9 m -119.34 107.43 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.57 168.89 24.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.612 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . 60.22 152.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 91.07 110.4 1.58 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 82.19 2.06 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.446 ' CG2' ' HD3' ' A' ' 229' ' ' ARG . 4.3 pt -47.21 172.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.692 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -72.05 160.01 83.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 102.75 1.62 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.586 1.835 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 103.47 -17.19 51.26 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.568 1.167 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.692 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 0.7 OUTLIER -50.09 126.23 14.03 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.516 0.774 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.568 ' HB3' ' CZ2' ' A' ' 249' ' ' TRP . 2.7 ttp -91.63 57.61 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 0.446 ' HD3' ' CG2' ' A' ' 223' ' ' ILE . 2.6 ttt85 -50.18 -179.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 229' ' ' ARG . 1.2 mt-10 -36.02 97.23 0.12 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.233 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 229' ' ' ARG . 18.4 Cg_endo -74.97 120.07 5.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.491 1.784 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . 0.647 ' NH2' ' CD2' ' A' ' 216' ' ' HIS . 0.1 OUTLIER -85.75 174.37 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.516 ' HA2' ' CZ2' ' A' ' 265' ' ' TRP . . . -37.06 -38.7 0.36 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . 0.577 ' O ' ' HB3' ' A' ' 237' ' ' ALA . 0.6 OUTLIER -62.38 -52.3 64.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 110.049 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . 0.433 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.0 OUTLIER -61.76 -48.37 81.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.866 HG12 HG22 ' A' ' 258' ' ' VAL . 20.2 mt -61.79 -14.67 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -83.2 -22.79 33.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 98.02 18.59 26.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 2.2 t -89.12 -37.68 14.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.395 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 23.9 m -105.86 -0.3 25.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . 0.469 ' HG ' ' HB3' ' A' ' 245' ' ' GLU . 14.3 t -144.1 155.65 44.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.56 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.3 OUTLIER -96.14 174.79 6.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.631 HD22 HD12 ' A' ' 247' ' ' ILE . 3.1 tm? -59.38 -54.7 43.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -52.14 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.469 ' HB3' ' HG ' ' A' ' 241' ' ' SER . 0.3 OUTLIER -61.26 -32.4 72.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.11 -69.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.999 HD11 HG21 ' A' ' 180' ' ' THR . 0.7 OUTLIER -46.68 -38.57 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.24 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.59 -51.95 55.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.568 ' CZ2' ' HB3' ' A' ' 228' ' ' MET . 0.8 OUTLIER -63.44 -31.41 72.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 7.7 mtm -66.02 -30.51 71.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.8 p -116.87 22.18 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 255' ' ' PRO . 57.6 t60 -84.41 172.4 11.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.574 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 9.4 m120 -120.37 112.79 34.11 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.474 1.108 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.5 Cg_endo -74.98 159.2 98.36 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.043 -0.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -74.94 121.2 6.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.558 1.82 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . 0.464 HG22 HG23 ' A' ' 258' ' ' VAL . 7.6 mt -88.17 132.94 38.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.546 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.1 Cg_endo -75.03 55.58 4.0 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.866 HG22 HG12 ' A' ' 236' ' ' ILE . 2.2 t -64.45 -62.77 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . 0.421 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.03 -35.95 91.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -32.37 71.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.572 HG22 ' CZ2' ' A' ' 265' ' ' TRP . 8.7 mt -71.51 -45.81 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . 0.653 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 0.9 OUTLIER -63.83 -48.1 78.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -55.96 -31.56 63.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 0.0 OUTLIER -68.0 -35.11 77.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.572 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 36.4 m0 -61.99 -47.31 85.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.175 . . . . 0.0 108.008 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.927 HG22 HD11 ' A' ' 270' ' ' LEU . 58.4 mt -57.1 -46.68 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.615 HD12 ' HE2' ' A' ' 172' ' ' PHE . 0.2 OUTLIER -60.14 -31.15 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . 0.661 HD13 ' HG3' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -60.77 -56.58 19.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.667 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -62.49 -57.42 16.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.927 HD11 HG22 ' A' ' 266' ' ' ILE . 12.5 mt -44.48 -35.42 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -62.88 -45.06 94.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 269' ' ' GLY . 1.3 ttmp? -69.01 -37.47 78.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.403 1.064 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 0.81 HD11 ' HB2' ' A' ' 201' ' ' LEU . 48.8 mt -62.29 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.357 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.636 HG22 ' N ' ' A' ' 165' ' ' SER . 55.1 t -71.21 -37.01 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -68.46 -16.26 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -37.79 18.19 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.88 15.2 29.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 77.9 p -71.93 113.76 23.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 68.6 p 39.16 81.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 3.9 m -103.88 -58.52 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.07 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 282' ' ' ILE . 62.2 mt 46.35 69.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.09 161.97 10.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . 0.442 ' O ' ' CG ' ' A' ' 284' ' ' HIS . 1.2 p-80 -155.04 117.17 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.643 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -164.3 146.05 8.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.414 1.071 . . . . 0.0 109.61 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.59 123.35 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.591 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -178.27 147.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.594 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -113.29 173.76 6.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.102 . . . . 0.0 109.571 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.66 -61.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 0.729 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.62 85.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.231 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.0 -61.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -142.54 -179.6 6.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.943 HG11 ' CG2' ' A' ' 34' ' ' ILE . 4.7 t -63.08 -48.73 86.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.608 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.4 mt -106.26 158.31 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.92 -179.87 7.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.0 -57.72 18.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.72 -39.37 21.32 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' A' ' 89' ' ' HIS . 1.3 mt-10 -58.87 -40.93 85.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 0.77 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.597 HD11 HD13 ' A' ' 31' ' ' LEU . 6.1 tp -70.27 -35.47 73.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -33.89 76.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.42 ' O ' HG12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -76.15 -45.85 31.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.276 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.841 ' CE3' HD12 ' A' ' 85' ' ' LEU . 12.9 t-105 -56.64 -51.96 66.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.038 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.64 -24.71 65.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -13.53 60.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.454 HG13 ' CG1' ' A' ' 84' ' ' VAL . 25.9 mm -65.73 142.3 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.533 ' C ' HD23 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -106.16 149.95 26.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.533 HD23 ' C ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -139.68 -159.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.595 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.6 OUTLIER -175.81 -59.37 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.595 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.97 122.75 7.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.79 10.29 12.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.35 -175.03 15.41 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' O ' ' CB ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -115.94 14.29 16.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER 89.96 0.31 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.483 ' O ' HD11 ' A' ' 21' ' ' LEU . 24.9 tt0 -155.01 144.94 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.343 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -90.92 150.23 21.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 111.017 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -142.31 174.57 10.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.597 HD13 HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.43 -26.16 67.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -45.68 92.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -35.86 82.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.651 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.943 ' CG2' HG11 ' A' ' 7' ' ' VAL . 4.1 mt -63.73 -50.57 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.46 -42.63 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -62.51 -41.58 98.94 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.614 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.23 -50.63 73.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -34.83 77.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 2.0 mtp180 -60.77 -35.92 77.64 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.5 ' OE2' ' CZ ' ' A' ' 43' ' ' ARG . 17.8 mm-40 -71.2 -34.83 71.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.257 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.937 ' O ' HG12 ' A' ' 46' ' ' VAL . 96.0 mt -61.03 -50.11 74.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 9.2 pt-20 -61.97 -31.97 72.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.218 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.5 ' CZ ' ' OE2' ' A' ' 40' ' ' GLU . 11.7 mtp180 -62.85 -38.71 91.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 46.6 t80 -79.08 -2.58 41.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 73.76 48.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.937 HG12 ' O ' ' A' ' 41' ' ' LEU . 5.6 p -125.04 150.0 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.066 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.65 131.24 95.07 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.84 18.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.74 -13.06 55.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.431 1.082 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 60' ' ' ILE . 25.2 mt -74.19 -29.28 61.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 0.756 . . . . 0.0 109.236 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.772 HD11 HD22 ' A' ' 85' ' ' LEU . 9.3 tp -79.61 -14.06 59.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.08 -22.04 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.89 152.56 45.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.579 1.174 . . . . 0.0 110.39 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.509 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 5.1 p -70.04 -28.38 65.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.973 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -63.3 -49.98 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.65 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -70.35 -34.93 68.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.567 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -63.88 -42.79 97.42 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -59.91 -43.04 95.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -58.77 -40.59 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.65 HD12 ' O ' ' A' ' 56' ' ' GLY . 1.1 mp -67.7 -69.8 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.492 ' N ' HG22 ' A' ' 60' ' ' ILE . 14.6 tp -43.46 -34.3 1.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.09 -49.13 59.87 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -91.01 19.92 5.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 110.314 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.522 HD23 ' CD2' ' A' ' 79' ' ' TYR . 15.5 tp -111.56 -27.06 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.605 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -53.03 -45.11 98.35 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.234 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.91 -40.38 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.81 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.17 -12.1 60.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.942 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.98 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.6 mt -71.08 -44.12 66.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -7.15 51.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.81 HG22 ' HA ' ' A' ' 67' ' ' SER . 3.0 t -120.16 -5.54 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.594 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -81.29 -98.78 0.39 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.492 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 33.7 p 166.42 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.04 -41.07 86.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -46.61 60.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.594 HD13 ' HA2' ' A' ' 71' ' ' GLY . 6.7 tt -59.74 -34.38 72.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.267 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.515 ' HA ' HD22 ' A' ' 68' ' ' LEU . 12.0 ttt180 -61.08 -48.94 79.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -35.88 65.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.953 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -61.2 -47.32 86.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.98 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.7 t80 -63.07 -43.36 98.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.873 ' OD1' HD13 ' A' ' 101' ' ' LEU . 1.7 t-20 -56.21 -33.52 65.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.815 HG23 ' HH2' ' A' ' 16' ' ' TRP . 20.4 m -70.72 -44.84 66.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.567 HG23 ' SG ' ' A' ' 57' ' ' CYS . 21.7 mt -63.77 -39.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 1.03 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -57.92 -54.85 42.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.565 HG12 ' HE3' ' A' ' 16' ' ' TRP . 11.0 t -58.32 -44.45 88.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.841 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.9 -41.22 77.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 61.3 t80 -67.67 -49.58 62.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.572 ' SG ' HG21 ' A' ' 94' ' ' VAL . 4.4 p -60.12 -32.17 70.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 84' ' ' VAL . 3.8 t -60.86 -46.72 95.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.509 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 20.7 t-80 -71.78 -23.76 61.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.919 ' CG ' HD11 ' A' ' 92' ' ' ILE . 4.9 tp-100 -85.08 -20.71 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 73.5 42.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.919 HD11 ' CG ' ' A' ' 90' ' ' GLN . 4.9 mm -76.18 141.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -75.93 70.82 2.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.572 HG21 ' SG ' ' A' ' 87' ' ' CYS . 17.1 m -110.97 173.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -135.06 -54.87 0.81 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.0 170.88 7.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.704 HG22 ' CG ' ' A' ' 80' ' ' ASN . 54.1 m -60.6 -44.52 96.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -61.16 -31.14 70.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -32.0 72.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.843 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -68.55 -47.67 66.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.873 HD13 ' OD1' ' A' ' 80' ' ' ASN . 2.1 mp -56.21 -37.66 69.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -73.06 -47.03 48.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.63 ' HB3' HG21 ' A' ' 92' ' ' ILE . 0.1 OUTLIER -66.72 -58.9 4.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.03 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.5 pt -54.7 -27.98 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 101' ' ' LEU . 1.3 tm-20 -63.95 -53.88 43.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -51.69 66.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.84 -52.11 58.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -52.62 62.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -53.05 -43.9 67.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -59.8 4.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -22.26 16.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.957 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -67.23 -65.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -58.28 -34.24 70.3 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.424 1.078 . . . . 0.0 109.371 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 113' ' ' LYS . 0.3 OUTLIER -61.59 -53.81 51.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.41 -55.62 23.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -50.55 -50.3 53.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.13 -55.08 31.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.278 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.85 -42.09 64.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.56 89.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.06 8.04 19.35 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 122' ' ' THR . 23.8 t0 -98.35 -41.09 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' ASP . 57.0 p -38.46 156.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.95 55.75 6.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -41.44 105.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.357 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 45.66 92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 94.4 p -178.42 170.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 30.5 pt20 -108.02 164.24 12.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.374 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 75.6 t -132.44 138.25 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.2 m -159.63 161.11 34.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.968 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -157.74 162.93 38.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.23 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.27 160.07 11.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -113.14 93.98 28.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.8 39.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 10.9 tt -166.67 167.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.1 p -86.88 149.45 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -173.72 129.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -179.36 143.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.46 173.56 11.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -141.88 171.42 14.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 165.26 159.07 11.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 111.069 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -135.64 171.42 14.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 16.7 tpt -122.56 144.97 48.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 35.4 m -115.22 176.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.883 ' HB2' HD13 ' A' ' 247' ' ' ILE . 0.2 OUTLIER -66.67 113.33 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.607 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.27 129.59 44.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.85 167.0 22.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.656 ' CG2' HG21 ' A' ' 186' ' ' THR . 1.1 tt -97.14 143.56 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.73 159.77 54.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.8 14.42 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -64.72 -37.25 86.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.593 ' OG1' HD21 ' A' ' 175' ' ' LEU . 0.7 OUTLIER -69.06 -33.71 74.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 1.035 HD21 HG22 ' A' ' 186' ' ' THR . 25.5 mt -69.39 -40.59 77.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.4 -35.27 73.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -67.44 -49.26 64.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.56 ' CD1' ' HG2' ' A' ' 187' ' ' MET . 26.5 t-105 -62.37 -48.21 80.79 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 152' ' ' LEU . 37.8 t -50.91 -43.38 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -61.03 -31.82 71.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.669 HG11 ' HG2' ' A' ' 171' ' ' MET . 52.9 t -75.52 -40.56 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.647 ' O ' ' HB2' ' A' ' 163' ' ' ALA . 13.0 t -64.77 -38.69 83.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.22 -30.61 48.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -88.77 3.42 51.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.341 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.706 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 8.9 mttt -161.39 -72.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.97 -48.25 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 277' ' ' TYR . 34.0 p90 -156.21 121.15 4.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.533 ' O ' HG12 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -176.65 170.23 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -19.04 18.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.423 1.749 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -93.88 0.64 56.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 165' ' ' SER . 0.3 OUTLIER -104.25 -33.97 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 22.9 mm -53.93 -45.07 99.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.204 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.01 -35.48 3.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.669 ' HG2' HG11 ' A' ' 158' ' ' VAL . 0.8 OUTLIER -62.22 -38.48 89.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.622 ' HE2' HD12 ' A' ' 267' ' ' ILE . 3.7 t80 -62.98 -44.19 96.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -38.42 75.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.9 90.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.593 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.12 -11.56 59.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.738 ' HB2' HD21 ' A' ' 184' ' ' LEU . 1.6 p -102.84 14.11 32.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.965 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 178' ' ' GLY . 3.2 tt0 -42.94 100.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.12 70.08 0.26 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.76 -177.11 3.27 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.443 0.731 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.837 HG21 HD11 ' A' ' 247' ' ' ILE . 0.6 OUTLIER -110.25 -173.0 0.24 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.132 . . . . 0.0 110.442 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -74.98 -41.82 0.61 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.562 1.822 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -70.16 -43.71 70.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.38 -49.23 74.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.738 HD21 ' HB2' ' A' ' 176' ' ' SER . 38.6 mt -64.25 -41.43 96.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -57.73 -38.01 74.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 1.035 HG22 HD21 ' A' ' 152' ' ' LEU . 1.0 OUTLIER -60.73 -46.99 88.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.449 1.093 . . . . 0.0 110.408 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.56 ' HG2' ' CD1' ' A' ' 155' ' ' TRP . 0.4 OUTLIER -66.22 -45.41 80.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.048 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.438 ' HG ' ' CE ' ' A' ' 198' ' ' MET . 1.1 mp -69.23 -10.14 56.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -88.33 -29.87 20.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 187' ' ' MET . 6.6 t -92.76 -5.45 51.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.584 HG22 ' H ' ' A' ' 192' ' ' GLY . 1.0 OUTLIER -52.61 -175.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.584 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -171.98 54.08 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . 0.557 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -106.88 26.52 19.12 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 80.1 151.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.59 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -70.82 -37.87 73.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.15 76.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.01 -49.91 76.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.484 ' CE ' HG11 ' A' ' 191' ' ' VAL . 1.7 mmt -58.01 -33.37 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -60.03 -52.08 66.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.9 mtp -66.93 -29.33 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.859 HD12 ' HA3' ' A' ' 269' ' ' GLY . 12.3 tp -62.37 -42.82 99.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 0.0 OUTLIER -68.36 -29.1 67.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 2.7 tt0 -66.72 -46.54 75.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.233 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -48.87 43.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.618 HD11 ' HA ' ' A' ' 266' ' ' ILE . 12.9 mt -58.33 -55.62 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 49.4 t-20 -57.64 -37.72 73.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 23.1 mt-10 -66.59 -29.51 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . 0.59 ' HG3' HD13 ' A' ' 268' ' ' LEU . 0.0 OUTLIER -62.71 -44.24 96.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.481 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -65.39 -45.03 85.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -53.98 -46.5 71.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -60.87 -33.41 73.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . 0.791 ' CZ3' HD11 ' A' ' 215' ' ' LEU . 0.0 OUTLIER -57.17 -66.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -58.01 -32.45 67.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -58.24 -35.66 72.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.791 HD11 ' CZ3' ' A' ' 212' ' ' TRP . 1.8 pp -106.84 -3.88 19.87 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 212' ' ' TRP . 1.4 t-80 -111.38 98.75 41.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.532 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.72 4.06 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.443 1.76 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.36 87.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.97 150.89 36.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.579 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . 59.28 164.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 102.48 138.77 10.17 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 114.41 4.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.609 1.847 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.734 HD11 ' H ' ' A' ' 229' ' ' ARG . 0.4 OUTLIER -67.13 132.53 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.735 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -67.3 159.86 74.87 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 107.28 2.45 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.459 1.768 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 97.03 -21.94 43.46 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.735 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 1.8 mp0 -55.47 154.64 6.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 0.78 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.573 ' HE3' ' HB3' ' A' ' 245' ' ' GLU . 0.0 OUTLIER -94.52 40.66 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.92 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 0.734 ' H ' HD11 ' A' ' 223' ' ' ILE . 0.1 OUTLIER 26.84 50.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 229' ' ' ARG . 0.0 OUTLIER 83.99 129.42 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.354 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.849 ' CG ' HG21 ' A' ' 256' ' ' ILE . 18.5 Cg_endo -75.05 74.06 4.15 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 235' ' ' ASP . 18.9 ptt85 -86.63 151.48 23.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.483 ' HA2' ' CZ2' ' A' ' 265' ' ' TRP . . . -35.06 -39.49 0.18 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . 0.646 ' O ' ' HB3' ' A' ' 237' ' ' ALA . 0.1 OUTLIER -64.74 -53.07 52.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.988 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 232' ' ' ARG . 0.5 OUTLIER -59.76 -48.02 83.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.853 HG12 HG22 ' A' ' 258' ' ' VAL . 44.7 mt -59.95 -17.32 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -78.74 -22.61 46.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 96.64 19.53 27.02 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.26 -38.24 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 11.2 m -106.68 -1.04 23.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . 0.461 ' HB2' ' CG ' ' A' ' 228' ' ' MET . 32.7 t -144.27 148.8 35.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.423 ' CG2' ' H ' ' A' ' 245' ' ' GLU . 1.9 t -90.81 -177.14 4.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.41 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.59 HD22 HD12 ' A' ' 247' ' ' ILE . 2.6 tm? -69.43 -58.78 3.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -47.81 -54.15 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.573 ' HB3' ' HE3' ' A' ' 228' ' ' MET . 30.8 mt-10 -62.1 -31.43 71.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -65.06 -68.48 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.36 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.883 HD13 ' HB2' ' A' ' 144' ' ' HIS . 0.8 OUTLIER -41.14 -38.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -61.75 -45.44 96.24 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.57 ' CE2' ' SD ' ' A' ' 228' ' ' MET . 0.1 OUTLIER -58.85 -40.12 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 12.8 mtm -58.75 -31.49 68.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 251' ' ' THR . 31.6 m -118.01 22.45 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 255' ' ' PRO . 44.6 t-80 -82.29 171.27 14.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.519 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 9.4 t30 -121.22 111.29 33.79 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.519 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.2 Cg_endo -75.07 158.95 98.61 Favored 'Cis proline' 0 C--N 1.361 1.221 0 C-N-CA 120.948 -2.521 . . . . 0.0 110.99 -0.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.483 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.94 119.66 5.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . 0.849 HG21 ' CG ' ' A' ' 231' ' ' PRO . 7.1 mt -93.61 134.44 26.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 256' ' ' ILE . 18.4 Cg_endo -75.01 55.61 4.01 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.853 HG22 HG12 ' A' ' 236' ' ' ILE . 2.0 t -59.09 -62.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . 0.453 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.21 -41.71 99.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . 0.535 ' HA ' ' CG ' ' A' ' 263' ' ' LYS . 2.5 tt0 -63.66 -31.72 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.593 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 10.6 mt -71.67 -45.51 66.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . 0.535 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 0.9 OUTLIER -63.42 -54.25 39.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.543 ' HB3' HD11 ' A' ' 184' ' ' LEU . 0.0 OUTLIER -55.72 -31.37 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.416 ' N ' ' HE2' ' A' ' 263' ' ' LYS . 2.9 mtt85 -66.81 -35.13 79.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.357 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.593 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 40.6 m0 -62.76 -45.4 92.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.952 HG22 ' CD1' ' A' ' 270' ' ' LEU . 69.1 mt -57.19 -47.87 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.622 HD12 ' HE2' ' A' ' 172' ' ' PHE . 0.4 OUTLIER -60.42 -34.41 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . 0.59 HD13 ' HG3' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -61.3 -55.44 31.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.859 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -61.87 -61.33 6.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.952 ' CD1' HG22 ' A' ' 266' ' ' ILE . 12.0 mt -43.35 -32.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.54 -47.45 81.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 269' ' ' GLY . 0.8 OUTLIER -69.27 -37.71 78.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 0.762 ' CD1' HD13 ' A' ' 201' ' ' LEU . 94.4 mt -61.08 -45.05 99.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 270' ' ' LEU . 74.6 t -69.37 -45.66 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -16.33 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 3.9 ttt -95.93 -37.84 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 164' ' ' PHE . 5.9 m-85 -96.32 16.33 18.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.53 150.27 79.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 59.22 5.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.778 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 6.3 m -155.5 107.24 2.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.441 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.17 78.44 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.044 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 1.7 pp -137.7 171.86 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.201 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 6.9 tp -162.21 154.45 19.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.393 1.058 . . . . 0.0 109.277 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -131.47 107.98 9.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.541 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -87.49 118.96 27.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -157.19 126.27 5.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 1.169 . . . . 0.0 109.602 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -166.29 163.94 17.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.558 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -129.47 172.34 11.64 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.536 1.147 . . . . 0.0 109.583 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.566 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.15 62.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.71 -56.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -120.84 100.16 6.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 m -142.37 -179.46 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.818 HG11 HG21 ' A' ' 34' ' ' ILE . 2.8 t -63.03 -49.0 85.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.621 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.3 mt -106.67 155.01 20.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -86.28 179.78 6.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.58 1.175 . . . . 0.0 109.985 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.26 -57.5 19.39 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.552 1.157 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.16 -40.56 24.15 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -39.85 83.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 0.803 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.532 ' CD1' HD13 ' A' ' 31' ' ' LEU . 6.9 tp -68.03 -41.77 81.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -31.83 63.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.89 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -77.74 -43.76 29.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.853 ' CE3' HD12 ' A' ' 85' ' ' LEU . 33.8 t-105 -56.76 -62.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -50.46 -32.69 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 110.368 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -46.49 75.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.89 HD12 ' O ' ' A' ' 15' ' ' LYS . 3.3 mp -58.17 146.19 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' C ' HD23 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -117.86 159.76 22.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.547 ' CD2' ' CG ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -113.98 -161.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.387 1.055 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.581 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -176.11 -58.89 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.581 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.96 123.22 7.75 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.46 4.56 38.82 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' LYS . . . -131.32 -85.89 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER 87.48 40.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 0.744 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -162.53 -143.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -115.06 173.84 6.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.701 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -91.13 145.6 24.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 111.1 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.92 173.36 11.62 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -62.64 -27.89 69.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -61.59 -46.1 91.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -62.8 -35.78 80.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.408 1.068 . . . . 0.0 109.568 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.818 HG21 HG11 ' A' ' 7' ' ' VAL . 3.5 mt -62.86 -49.78 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.13 -42.92 20.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.477 ' CZ2' ' HB2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -62.65 -41.17 98.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 108.012 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.617 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.27 -53.05 62.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.884 ' HA ' HD12 ' A' ' 41' ' ' LEU . 6.1 p -59.68 -36.84 77.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -60.89 -40.17 92.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.452 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 15.9 tm-20 -63.13 -34.32 77.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 38' ' ' SER . 9.2 mt -68.38 -31.55 71.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.53 -42.58 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -74.42 -19.82 60.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.492 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -79.75 -4.75 53.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 71.12 35.21 1.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' ' 41' ' ' LEU . 7.3 p -124.97 150.21 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -64.36 129.23 94.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.243 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -18.93 18.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.82 -11.29 57.53 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.046 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HB3' ' CA ' ' A' ' 56' ' ' GLY . 29.5 mt -72.47 -32.31 66.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.457 HD11 HD22 ' A' ' 85' ' ' LEU . 8.3 tp -72.71 -21.05 61.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.368 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -21.8 63.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.9 p -125.53 154.31 42.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.552 ' HA ' ' CE1' ' A' ' 89' ' ' HIS . 9.8 p -70.08 -28.95 65.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.174 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.95 -38.59 76.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.668 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -70.94 -43.18 58.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.419 1.074 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.547 ' HB2' HG23 ' A' ' 82' ' ' ILE . 10.9 p -66.73 -35.79 80.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -59.77 -38.33 81.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -68.67 -33.57 74.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.681 HG12 HD22 ' A' ' 41' ' ' LEU . 1.2 mp -71.47 -72.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.58 HD11 ' CE1' ' A' ' 79' ' ' TYR . 12.1 tp -41.89 -35.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.69 -48.85 81.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.425 1.078 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -96.2 22.01 8.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 110.335 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.555 HD23 ' CD2' ' A' ' 79' ' ' TYR . 16.3 tp -109.76 -25.61 10.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.603 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -53.99 -45.07 99.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.01 -40.39 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.569 1.826 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.803 ' HA ' HG22 ' A' ' 70' ' ' THR . 1.9 m -68.65 -11.8 60.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.951 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.4 mt -70.98 -43.87 67.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -74.36 -7.09 51.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.803 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.78 -5.46 10.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.384 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.769 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -80.69 -98.53 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.587 1.18 . . . . 0.0 111.013 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 16.3 p 167.84 -176.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.72 -40.95 96.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.34 -47.06 58.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.769 HD13 ' CA ' ' A' ' 71' ' ' GLY . 6.9 tt -60.9 -34.37 74.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.332 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.541 ' HA ' HD22 ' A' ' 68' ' ' LEU . 54.3 ttm-85 -61.34 -42.51 98.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -62.92 -30.56 71.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -65.61 -47.36 75.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.951 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.9 t80 -58.69 -43.42 89.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -58.35 -32.24 68.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.617 HG21 ' HB2' ' A' ' 37' ' ' ALA . 24.1 m -64.78 -48.12 75.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.547 HG23 ' HB2' ' A' ' 57' ' ' CYS . 5.4 mt -68.37 -37.64 78.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.986 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -55.23 -57.44 11.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.547 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.7 t -57.97 -41.05 79.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.853 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.74 -36.71 70.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -61.4 -51.5 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.468 ' HA ' ' CD1' ' A' ' 92' ' ' ILE . 0.5 OUTLIER -58.67 -34.45 71.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 108.263 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 t -64.53 -39.38 85.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 54' ' ' SER . 29.7 m170 -56.79 -40.11 75.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.548 ' O ' ' HG2' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -96.43 11.89 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 44.95 42.54 6.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 110.386 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.546 HD11 ' CB ' ' A' ' 90' ' ' GLN . 3.1 mt -74.24 141.51 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.79 106.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.581 HG23 HG13 ' A' ' 19' ' ' ILE . 28.2 m -128.93 174.15 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.92 -49.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.67 170.75 13.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.52 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.4 m -60.05 -45.99 91.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.16 -31.64 63.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -68.29 -36.58 79.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.366 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.832 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -71.03 -39.27 72.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 2.4 mm? -56.44 -47.67 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -72.53 -41.78 65.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -62.71 -62.45 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.986 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.6 pt -56.39 -27.95 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -59.79 -54.09 50.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.338 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.64 -51.81 67.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.284 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.73 -52.01 58.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -55.03 -52.74 62.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -53.06 -43.83 67.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -55.77 30.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.0 t -49.98 -50.79 45.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.13 -54.14 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -53.84 31.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.53 -50.74 40.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.49 -54.6 34.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -49.99 -50.18 47.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -53.86 45.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 122' ' ' THR . . . -52.88 -49.41 65.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -50.85 -34.75 29.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.97 -31.68 45.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.376 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -86.23 9.76 16.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 118' ' ' ALA . 39.0 p -128.24 -49.35 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -57.3 -51.36 58.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -41.02 105.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 174.82 167.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.07 170.56 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -176.26 165.38 2.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.4 m -135.4 176.34 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.2 p -170.7 170.47 6.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.946 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -174.67 170.06 3.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -172.21 167.84 5.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -169.18 93.46 0.55 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.15 4.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.559 1.82 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -169.28 145.67 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.7 p -172.38 148.26 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -156.35 171.44 20.23 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -179.19 139.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.9 pp -175.41 143.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -180.0 164.61 1.17 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.165 . . . . 0.0 110.289 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -170.86 150.03 13.37 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 178.89 171.84 0.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 0.751 . . . . 0.0 110.359 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 2.3 mtp 62.35 158.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.61 138.2 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 247' ' ' ILE . 0.2 OUTLIER -78.82 142.54 36.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.156 . . . . 0.0 109.592 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.96 148.09 28.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.66 -178.73 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.555 HG12 HG21 ' A' ' 151' ' ' THR . 1.0 OUTLIER -87.89 143.47 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.89 160.67 52.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.29 13.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -65.08 -37.33 87.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.555 HG21 HG12 ' A' ' 147' ' ' ILE . 0.6 OUTLIER -69.6 -38.44 77.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.381 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 156' ' ' VAL . 19.1 mt -57.59 -43.23 84.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -67.33 -30.85 70.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 158' ' ' VAL . . . -68.95 -49.2 60.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.572 ' CD1' ' HG3' ' A' ' 187' ' ' MET . 35.5 t-105 -62.42 -46.84 86.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 108.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 152' ' ' LEU . 53.8 t -46.68 -41.69 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -69.24 -33.65 73.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.226 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.83 HG11 ' SD ' ' A' ' 171' ' ' MET . 86.1 t -66.47 -45.03 90.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.748 HG11 ' N ' ' A' ' 192' ' ' GLY . 37.9 t -67.26 -46.71 83.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -67.52 -18.69 65.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -87.01 -40.53 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.697 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -125.16 -58.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.375 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.28 -48.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 277' ' ' TYR . 7.7 p90 -158.26 85.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.081 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.79 170.65 10.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.23 18.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -97.26 7.7 46.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.51 -34.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 3.2 mt -55.99 -46.98 99.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.2 Cg_endo -74.98 -37.03 2.22 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.83 ' SD ' HG11 ' A' ' 158' ' ' VAL . 0.1 OUTLIER -62.61 -30.15 71.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.823 ' CZ ' HG21 ' A' ' 266' ' ' ILE . 3.5 t80 -69.17 -44.46 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . . . . . . . . . 9.9 p -59.78 -36.61 77.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.85 92.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.363 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.539 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.2 -9.99 59.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.679 ' OG ' HD21 ' A' ' 184' ' ' LEU . 3.2 t -108.5 14.27 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.064 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 176' ' ' SER . 0.2 OUTLIER -37.88 107.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.99 71.22 0.23 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.95 -177.72 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.929 HG21 HD11 ' A' ' 247' ' ' ILE . 0.6 OUTLIER -115.85 -172.92 0.23 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.04 -41.34 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -70.21 -40.38 74.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.71 -49.44 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.679 HD21 ' OG ' ' A' ' 176' ' ' SER . 63.3 mt -66.7 -32.37 73.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . 0.478 ' O ' ' CB ' ' A' ' 189' ' ' ASN . 3.3 m-20 -63.41 -32.62 74.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.823 HG23 HD11 ' A' ' 152' ' ' LEU . 0.6 OUTLIER -69.6 -45.43 68.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.453 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.572 ' HG3' ' CD1' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -66.87 -43.44 83.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.042 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.728 HD22 ' HE1' ' A' ' 198' ' ' MET . 10.9 mt -81.73 -4.99 57.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 1.9 m-20 -77.69 -49.87 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.555 HG23 ' N ' ' A' ' 191' ' ' VAL . 6.8 t -79.89 -58.09 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.77 HG13 ' N ' ' A' ' 192' ' ' GLY . 0.3 OUTLIER 38.57 -161.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.77 ' N ' HG13 ' A' ' 191' ' ' VAL . . . 173.77 37.84 0.04 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.55 1.156 . . . . 0.0 110.952 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -115.94 25.66 9.32 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.505 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 5.3 m170 87.51 145.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 0.787 . . . . 0.0 109.579 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.35 -37.15 77.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.04 76.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -58.92 -49.5 77.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.728 ' HE1' HD22 ' A' ' 188' ' ' LEU . 1.1 mmt -58.07 -36.79 73.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -62.62 -53.86 48.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 42.3 mtm -58.77 -29.5 66.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.848 HD12 ' HA3' ' A' ' 269' ' ' GLY . 10.7 tp -63.05 -43.0 99.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.364 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 12.7 tttt -68.51 -28.85 67.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 5.2 tt0 -67.09 -45.11 78.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -49.35 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.931 HD11 ' HA ' ' A' ' 266' ' ' ILE . 18.4 mt -59.61 -55.4 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 57.6 t-20 -58.32 -36.25 73.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 1.7 tt0 -65.27 -29.74 70.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.398 1.062 . . . . 0.0 110.316 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.88 -31.3 69.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.623 ' HB2' ' HA3' ' A' ' 233' ' ' GLY . . . -69.1 -49.68 54.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.25 -48.08 74.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -66.77 -36.81 83.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . 0.761 ' CE3' HD11 ' A' ' 215' ' ' LEU . 45.3 t-105 -59.09 -63.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 107.969 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -55.92 -33.01 64.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.384 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 14.4 ttt85 -61.82 -29.45 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.761 HD11 ' CE3' ' A' ' 212' ' ' TRP . 2.6 pp -106.61 -1.22 23.1 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . 0.49 ' CE1' ' CZ2' ' A' ' 212' ' ' TRP . 0.6 OUTLIER -111.81 96.6 33.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.575 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 66.08 6.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.429 1.752 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 218' ' ' VAL . 35.8 m -71.29 84.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . 0.416 ' CD2' HH22 ' A' ' 229' ' ' ARG . 0.2 OUTLIER -159.33 118.01 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.61 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -164.49 167.65 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -59.78 -122.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.547 1.154 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 92.25 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' A' ' 227' ' ' GLN . 1.1 pt -54.9 173.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.823 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -54.31 163.55 1.25 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 224' ' ' ALA . 18.3 Cg_endo -74.99 107.55 2.51 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.44 1.758 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 94.11 -21.98 39.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.823 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 1.5 tp60 -41.34 132.87 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.593 ' HE2' ' CD2' ' A' ' 249' ' ' TRP . 10.8 mtm -84.27 45.1 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 0.481 ' HG3' HG21 ' A' ' 223' ' ' ILE . 6.6 ttt-85 32.71 49.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 229' ' ' ARG . 4.0 mm-40 48.87 99.43 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.425 ' CB ' ' CB ' ' A' ' 235' ' ' ASP . 18.2 Cg_endo -75.03 129.1 12.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.85 -147.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.623 ' HA3' ' HB2' ' A' ' 209' ' ' ALA . . . -71.71 -38.06 61.23 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.59 1.181 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . 0.413 ' O ' ' HB ' ' A' ' 239' ' ' THR . 58.0 m -60.2 -45.6 92.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . 0.425 ' CB ' ' CB ' ' A' ' 231' ' ' PRO . 1.0 OUTLIER -74.55 -47.77 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.712 HG12 HG22 ' A' ' 258' ' ' VAL . 89.3 mt -61.85 -14.13 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 233' ' ' GLY . . . -96.84 -0.82 47.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 1.075 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 71.47 19.72 77.88 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.413 1.071 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 234' ' ' SER . 0.8 OUTLIER -90.45 -37.65 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.45 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 240' ' ' THR . 16.4 m -102.6 0.11 32.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 1.1 m -140.49 155.05 46.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.467 ' CG2' ' HG3' ' A' ' 244' ' ' GLN . 0.7 OUTLIER -79.26 176.49 9.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.75 ' CD1' HD13 ' A' ' 247' ' ' ILE . 3.2 tm? -62.64 -59.43 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . 0.467 ' HG3' ' CG2' ' A' ' 242' ' ' THR . 1.7 pt20 -58.47 -20.77 48.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.44 ' HB2' HG22 ' A' ' 242' ' ' THR . 5.4 mt-10 -70.81 -48.92 51.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.284 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . 0.517 ' CD ' ' CG1' ' A' ' 258' ' ' VAL . 1.8 tt0 -69.57 -56.05 8.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.24 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.929 HD11 HG21 ' A' ' 180' ' ' THR . 0.9 OUTLIER -51.1 -39.38 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -60.46 -51.57 57.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.593 ' CD2' ' HE2' ' A' ' 228' ' ' MET . 0.7 OUTLIER -63.08 -32.63 74.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.0 mtm -57.59 -33.44 68.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 251' ' ' THR . 30.6 m -118.25 22.58 12.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.575 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 53.4 t60 -75.87 170.65 15.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.648 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.575 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 7.9 m-80 -120.04 111.26 35.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.386 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.2 Cg_endo -75.09 159.54 97.78 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.965 0.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.497 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.3 Cg_endo -74.99 120.04 5.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.461 1.769 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 257' ' ' PRO . 4.9 mt -97.79 131.89 25.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.582 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.3 Cg_endo -74.98 54.66 3.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.712 HG22 HG12 ' A' ' 236' ' ' ILE . 1.5 t -64.4 -59.09 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.227 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . 0.431 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -60.92 -41.7 99.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -32.0 72.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.734 ' CG2' ' CZ2' ' A' ' 265' ' ' TRP . 4.2 mt -65.78 -38.66 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . 0.452 ' CE2' ' HA ' ' A' ' 181' ' ' PRO . 4.7 t80 -63.79 -45.63 88.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 264' ' ' ARG . 0.0 OUTLIER -57.08 -34.93 68.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 263' ' ' LYS . 14.9 mtt180 -68.64 -40.5 80.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.734 ' CZ2' ' CG2' ' A' ' 261' ' ' ILE . 50.1 m0 -61.83 -44.18 97.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.029 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.931 ' HA ' HD11 ' A' ' 205' ' ' ILE . 77.7 mt -57.41 -45.57 85.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -31.04 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -53.61 52.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.848 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -61.78 -54.59 34.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.759 HD11 HG22 ' A' ' 266' ' ' ILE . 11.6 mt -48.03 -33.26 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . 0.538 ' HA ' HD11 ' A' ' 169' ' ' ILE . 46.5 t30 -63.29 -45.02 93.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -37.53 77.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 0.803 ' CD1' HD13 ' A' ' 201' ' ' LEU . 85.7 mt -62.75 -43.8 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 270' ' ' LEU . 75.6 t -72.28 -38.36 61.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -16.2 62.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.79 -37.91 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 0.562 ' HB3' ' CD2' ' A' ' 164' ' ' PHE . 2.1 m-85 -101.54 15.29 29.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.37 114.15 35.38 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 155.25 43.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 15.7 m 62.53 79.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 40.7 t -156.37 155.88 32.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 5.5 pt -141.77 137.37 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 1.7 tt -173.71 157.6 3.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.84 157.41 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . 0.504 ' O ' ' CG ' ' A' ' 286' ' ' HIS . 0.0 OUTLIER -178.69 136.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.603 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 285' ' ' HIS . 40.6 m80 -160.21 174.77 13.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.653 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -156.8 174.75 15.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.573 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.04 154.11 50.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.636 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 9.2 p80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.545 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.436 ' N ' HG13 ' A' ' 35' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.26 66.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.81 170.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.214 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.87 -170.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m 76.85 94.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.046 HG11 HG21 ' A' ' 34' ' ' ILE . 24.6 t -150.75 -66.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.17 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.608 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 12.5 mt -105.31 147.02 28.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.5 179.36 7.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 109.997 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.06 -58.4 14.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.41 -40.4 33.2 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.862 ' OE1' HG12 ' A' ' 88' ' ' VAL . 4.1 mm-40 -61.07 -34.98 75.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.847 HD21 HD21 ' A' ' 31' ' ' LEU . 3.3 tp -69.74 -39.83 76.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -56.05 -32.31 63.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.935 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.2 mptt -73.94 -45.85 47.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.89 ' CE3' HD12 ' A' ' 85' ' ' LEU . 53.9 t-105 -58.53 -42.45 87.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.042 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' O ' ' CD ' ' A' ' 28' ' ' GLN . 2.3 mm-40 -74.17 -14.28 60.93 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -90.13 33.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.935 HD12 ' O ' ' A' ' 15' ' ' LYS . 1.7 mp -142.55 140.41 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -103.27 153.03 20.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.88 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -73.63 -139.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.515 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER 172.28 -55.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.515 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.1 Cg_endo -75.07 124.45 8.59 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.526 1.803 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.89 1.53 55.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.07 85.78 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.701 ' CB ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -105.65 -3.22 22.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 109.267 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.6 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 2.6 ttmt 96.48 -120.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.41 1.068 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.471 ' C ' HD21 ' A' ' 21' ' ' LEU . 26.7 tt0 -105.74 157.18 17.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.735 ' N ' HD21 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -74.34 146.68 42.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.56 175.16 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.066 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.847 HD21 HD21 ' A' ' 13' ' ' LEU . 2.1 mm? -61.42 -29.23 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.538 ' HD2' ' CD2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -61.94 -40.04 94.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.538 ' CD2' ' HD2' ' A' ' 32' ' ' LYS . 59.5 m-70 -66.83 -35.99 81.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.605 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.046 HG21 HG11 ' A' ' 7' ' ' VAL . 6.4 mt -64.78 -49.94 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 2' ' ' GLY . 2.4 t -50.09 -43.32 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 108.031 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.639 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.35 -51.01 71.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.762 ' HA ' HD12 ' A' ' 41' ' ' LEU . 3.7 p -58.44 -35.08 71.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -41.04 95.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.435 ' CB ' ' HG ' ' A' ' 78' ' ' LEU . 33.5 mm-40 -63.5 -34.75 78.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.871 ' O ' HG12 ' A' ' 46' ' ' VAL . 20.9 mt -63.96 -31.69 72.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -69.08 -42.31 76.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -64.31 -23.17 67.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -86.38 -10.96 53.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 73.76 45.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.614 1.196 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.871 HG12 ' O ' ' A' ' 41' ' ' LEU . 8.5 p -125.01 149.92 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.6 135.69 96.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.358 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -18.74 18.35 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.598 1.841 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.44 -14.31 48.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.529 HD12 HG22 ' A' ' 46' ' ' VAL . 23.3 mt -74.82 -31.73 61.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD1' ' CD2' ' A' ' 85' ' ' LEU . 6.7 tp -78.07 -2.26 36.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -91.99 -22.11 20.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -125.8 154.86 41.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.363 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.09 -29.43 66.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.99 -49.48 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.694 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -64.19 -41.63 98.27 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.57 1.169 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.744 ' SG ' HG23 ' A' ' 82' ' ' ILE . 0.8 OUTLIER -63.87 -35.94 82.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -59.9 -40.16 87.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.17 -30.78 68.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.694 HD12 ' O ' ' A' ' 56' ' ' GLY . 1.0 OUTLIER -72.93 -73.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.069 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.61 ' N ' HG22 ' A' ' 60' ' ' ILE . 11.6 tp -43.62 -35.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.39 -49.05 77.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.86 19.99 8.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.338 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.5 HD23 ' CD2' ' A' ' 79' ' ' TYR . 19.8 tp -109.37 -24.86 10.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.602 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -53.76 -45.04 98.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.229 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.87 -40.61 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.803 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.4 OUTLIER -68.33 -11.83 60.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.566 1.166 . . . . 0.0 109.968 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.952 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.2 mt -70.78 -44.16 67.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.2 -7.32 52.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.803 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.6 t -119.34 -5.91 10.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.675 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -80.7 -97.98 0.36 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.591 1.182 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.455 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 23.3 p 167.56 -176.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 0.759 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -61.38 -40.71 95.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -47.07 59.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.675 HD13 ' CA ' ' A' ' 71' ' ' GLY . 8.0 tt -60.77 -34.51 74.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.525 ' HA ' HD22 ' A' ' 68' ' ' LEU . 6.4 tpt180 -61.08 -44.66 97.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.463 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 0.4 OUTLIER -60.82 -30.75 70.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -66.07 -47.35 74.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.952 ' CG ' HD11 ' A' ' 68' ' ' LEU . 1.3 t80 -58.16 -41.62 84.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -60.5 -35.22 75.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 37' ' ' ALA . 61.0 m -62.41 -45.53 92.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.084 . . . . 0.0 110.431 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.744 HG23 ' SG ' ' A' ' 57' ' ' CYS . 9.3 mt -72.02 -34.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.948 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -55.83 -60.07 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.602 HG22 ' HB2' ' A' ' 100' ' ' ALA . 2.5 t -58.59 -39.68 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.237 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.89 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -56.64 -39.88 74.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 44.9 t80 -59.92 -53.12 61.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.407 ' SG ' HD13 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -58.29 -36.19 72.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.356 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.862 HG12 ' OE1' ' A' ' 12' ' ' GLU . 4.4 t -62.04 -41.24 90.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.24 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -55.91 -40.21 72.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.578 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.556 ' CB ' HD12 ' A' ' 92' ' ' ILE . 0.6 OUTLIER -85.72 -20.09 29.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 78.98 41.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.679 HG22 HG13 ' A' ' 94' ' ' VAL . 1.3 mp -75.93 141.08 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -70.57 97.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.679 HG13 HG22 ' A' ' 92' ' ' ILE . 29.8 m -118.32 173.61 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.13 -45.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -132.82 170.92 14.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.513 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.2 m -60.16 -44.9 94.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' N ' ' OD2' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -55.26 -32.05 62.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -41.33 80.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.804 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -67.93 -37.86 82.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 105' ' ' GLU . 0.8 OUTLIER -56.55 -46.2 80.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.68 -42.53 64.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -62.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.948 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 1.6 pt -56.04 -28.07 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -59.04 -54.07 51.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.251 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.46 -51.5 69.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 110.357 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -52.13 -51.11 59.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -55.41 -52.93 61.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -53.09 -43.74 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -55.04 40.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.43 -51.59 45.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.02 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -53.83 -56.2 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -46.24 -45.53 17.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.14 -43.67 97.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.92 -62.1 1.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 117' ' ' GLN . 19.8 pt20 -52.76 -43.54 65.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 4.5 tm0? -54.41 -55.65 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.232 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.4 -58.9 6.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -40.37 -47.66 2.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.39 -61.09 2.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.55 -66.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 72.7 p -49.23 -49.09 44.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -91.56 -145.13 14.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -143.85 84.94 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 50.08 91.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.9 t -178.16 156.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.3 128.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.2 p -174.52 149.14 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.7 p 179.26 136.63 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.588 1.18 . . . . 0.0 109.96 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -177.91 139.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 179.41 157.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.486 ' CG ' ' HD2' ' A' ' 133' ' ' PRO . 0.4 OUTLIER -170.08 155.9 5.58 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.486 ' HD2' ' CG ' ' A' ' 132' ' ' TYR . 18.3 Cg_endo -75.02 173.49 14.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 134' ' ' ILE . 13.2 tt -172.78 116.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 72.9 t 64.17 125.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -179.06 72.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.6 m120 56.06 166.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -175.4 143.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.407 ' N ' HD22 ' A' ' 138' ' ' LEU . 0.0 OUTLIER 179.08 171.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.255 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 151.63 137.42 2.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.589 1.18 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -173.0 123.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 0.713 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.7 ttt -178.15 84.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.7 p -172.72 151.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 247' ' ' ILE . 6.0 t60 -97.94 142.62 29.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -81.9 148.28 28.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 110.293 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.35 -176.36 2.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.586 HG12 HG21 ' A' ' 151' ' ' THR . 1.3 tt -84.01 143.05 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.1 160.76 51.36 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.053 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.28 14.03 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.504 1.792 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -65.64 -37.4 86.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.651 ' OG1' HD21 ' A' ' 175' ' ' LEU . 0.6 OUTLIER -66.1 -40.83 91.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.953 ' O ' HG23 ' A' ' 156' ' ' VAL . 19.2 mt -58.76 -40.58 84.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.11 -41.86 85.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.01 79.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 109.337 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 172' ' ' PHE . 40.5 t-105 -62.01 -46.49 88.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 152' ' ' LEU . 40.3 t -45.25 -43.14 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -66.06 -37.84 86.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 155' ' ' TRP . 67.9 t -63.35 -44.53 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.709 HG13 ' HB2' ' A' ' 163' ' ' ALA . 90.1 t -56.32 -46.6 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.86 -24.65 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.246 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.99 -52.8 10.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 1.018 ' O ' HG21 ' A' ' 168' ' ' VAL . 5.5 mttt -173.06 66.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.331 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.709 ' HB2' HG13 ' A' ' 159' ' ' VAL . . . -33.29 -45.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.506 ' CD1' ' CE2' ' A' ' 277' ' ' TYR . 1.3 p90 -117.95 126.41 52.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.491 ' HB2' ' HD2' ' A' ' 166' ' ' PRO . 4.0 p 178.69 170.35 0.51 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.945 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' A' ' 165' ' ' SER . 18.2 Cg_endo -74.98 -36.11 2.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -88.92 9.28 25.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 1.018 HG21 ' O ' ' A' ' 162' ' ' LYS . 2.2 t -105.78 -34.28 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.642 HD11 ' C ' ' A' ' 270' ' ' LEU . 0.0 OUTLIER -54.95 -45.43 99.8 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.08 -34.21 3.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -51.05 69.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.557 ' HB2' ' CH2' ' A' ' 155' ' ' TRP . 13.3 t80 -61.55 -44.22 97.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . 0.626 ' HB3' HD11 ' A' ' 267' ' ' ILE . 11.1 p -58.54 -33.21 69.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.5 -45.59 92.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.651 HD21 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -75.99 -10.17 59.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.933 ' OG ' HD21 ' A' ' 184' ' ' LEU . 3.0 t -106.97 14.26 26.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 176' ' ' SER . 4.3 mt-10 -37.62 109.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.313 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 37.6 66.85 0.52 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -103.85 -176.05 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.937 HG21 HD11 ' A' ' 247' ' ' ILE . 1.7 p -108.55 -176.55 0.41 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 262' ' ' TYR . 18.4 Cg_endo -74.96 -42.44 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.457 1.767 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -49.55 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.257 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.45 ' OD2' HD12 ' A' ' 147' ' ' ILE . 0.0 OUTLIER -58.5 -49.11 78.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.933 HD21 ' OG ' ' A' ' 176' ' ' SER . 40.3 mt -61.91 -43.2 99.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -57.17 -35.33 69.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.168 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.856 HG23 HD11 ' A' ' 152' ' ' LEU . 0.8 OUTLIER -62.43 -44.33 96.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.597 1.186 . . . . 0.0 110.357 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.528 ' O ' HG22 ' A' ' 190' ' ' THR . 0.3 OUTLIER -69.7 -45.5 68.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.426 HD11 HG12 ' A' ' 266' ' ' ILE . 13.5 mt -64.04 -28.91 70.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.02 -39.94 78.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 187' ' ' MET . 5.4 t -84.31 -2.56 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.557 HG11 ' HE3' ' A' ' 198' ' ' MET . 0.7 OUTLIER -52.18 -176.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.709 ' N ' HG11 ' A' ' 159' ' ' VAL . . . -169.89 55.55 0.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.095 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . 0.538 ' O ' ' HB3' ' A' ' 197' ' ' ALA . . . -115.02 32.61 5.71 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.405 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 4.2 t-160 81.35 133.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 0.0 109.572 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.72 -37.96 74.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 110.368 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.48 75.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 193' ' ' GLY . . . -59.08 -49.9 76.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.561 ' HE1' HD23 ' A' ' 201' ' ' LEU . 1.0 OUTLIER -57.93 -33.43 68.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -69.06 -54.46 14.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.3 mtp -59.86 -29.68 68.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.575 HD13 ' HA3' ' A' ' 269' ' ' GLY . 16.2 tp -65.18 -42.6 93.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -63.46 -29.52 70.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 207' ' ' GLU . 3.8 tt0 -66.91 -46.45 74.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.203 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.71 -49.04 51.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.349 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.63 HD11 ' HA ' ' A' ' 266' ' ' ILE . 16.2 mt -58.24 -55.48 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.585 1.178 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -57.88 -38.02 75.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 203' ' ' GLU . 19.4 mt-10 -66.16 -29.73 70.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . 0.538 ' HG2' ' CD1' ' A' ' 265' ' ' TRP . 0.4 OUTLIER -64.53 -44.81 89.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.508 ' HB1' ' HA3' ' A' ' 233' ' ' GLY . . . -61.54 -50.01 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.51 -48.0 75.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.385 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.85 -39.01 90.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . 0.588 ' CE3' HD11 ' A' ' 215' ' ' LEU . 44.4 t-105 -60.16 -59.63 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 108.017 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -56.17 -33.36 65.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -61.79 -32.67 72.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.588 HD11 ' CE3' ' A' ' 212' ' ' TRP . 2.6 pp -101.26 0.04 36.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . 0.409 ' CE1' ' CZ2' ' A' ' 212' ' ' TRP . 0.1 OUTLIER -111.53 97.31 36.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.537 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 82.56 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.532 1.806 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 218' ' ' VAL . 10.7 p -114.98 97.65 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -131.1 112.86 13.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -151.3 174.06 13.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -92.47 -142.47 11.29 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.439 1.087 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.66 5.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.427 1.751 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.997 HG21 ' CD ' ' A' ' 229' ' ' ARG . 1.1 pt -92.93 -178.84 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.712 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -52.72 156.16 3.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.586 1.179 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 107.53 2.51 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 99.11 -21.85 43.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.712 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 0.2 OUTLIER -51.62 137.59 24.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 0.808 . . . . 0.0 110.32 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.589 ' HE2' ' CD2' ' A' ' 249' ' ' TRP . 31.3 ttp -116.58 68.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 0.997 ' CD ' HG21 ' A' ' 223' ' ' ILE . 13.7 ptt-85 -59.9 -179.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 229' ' ' ARG . 0.2 OUTLIER -35.79 96.93 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 229' ' ' ARG . 18.5 Cg_endo -74.97 143.71 29.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -85.92 177.57 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.672 ' HA2' HD12 ' A' ' 236' ' ' ILE . . . -52.77 -38.55 53.79 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 6.5 m -61.41 -40.11 93.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.034 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . 0.448 ' O ' ' NE2' ' A' ' 246' ' ' GLN . 1.4 m-20 -65.73 -36.55 83.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.672 HD12 ' HA2' ' A' ' 233' ' ' GLY . 4.0 mt -60.42 -30.01 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -71.48 -22.98 61.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 90.62 23.49 30.82 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.23 -38.23 15.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 15.4 m -105.83 -0.8 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.432 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 5.8 t -138.8 136.81 36.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.23 172.52 10.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.365 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.674 HD13 HG12 ' A' ' 247' ' ' ILE . 3.0 tm? -65.64 -59.15 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -49.29 -24.92 2.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 110.35 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.404 ' CB ' ' HE1' ' A' ' 228' ' ' MET . 3.9 mt-10 -70.46 -49.4 48.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.067 . . . . 0.0 110.278 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 235' ' ' ASP . 55.0 mt-30 -69.91 -37.6 76.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.937 HD11 HG21 ' A' ' 180' ' ' THR . 33.3 mm -52.54 -57.3 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -60.73 -45.48 96.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.589 ' CD2' ' HE2' ' A' ' 228' ' ' MET . 0.4 OUTLIER -56.21 -31.47 63.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.98 -41.05 87.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 251' ' ' THR . 30.3 m -106.91 22.11 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.36 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 255' ' ' PRO . 81.9 t60 -86.28 170.2 12.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.554 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.456 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 40.3 m-80 -121.22 111.52 33.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.7 Cg_endo -74.94 159.34 98.14 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.032 -0.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.1 Cg_endo -75.11 121.69 6.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.407 1.74 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . 0.45 HD13 ' CD1' ' A' ' 249' ' ' TRP . 4.6 mt -95.71 111.36 55.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 54.66 3.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.604 1.844 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.858 ' HA ' HD12 ' A' ' 261' ' ' ILE . 0.3 OUTLIER -58.19 -41.66 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -62.23 -42.71 99.72 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.34 -32.36 73.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.858 HD12 ' HA ' ' A' ' 258' ' ' VAL . 8.2 mt -63.61 -45.72 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . 0.629 ' CD2' ' HA ' ' A' ' 181' ' ' PRO . 8.5 t80 -71.42 -39.75 70.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.524 ' HE3' HD13 ' A' ' 267' ' ' ILE . 0.0 OUTLIER -58.46 -44.9 89.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -32.07 73.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.562 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 50.8 m0 -61.96 -47.76 83.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 107.962 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.877 HG22 HD11 ' A' ' 270' ' ' LEU . 54.4 mt -57.52 -48.24 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 173' ' ' SER . 0.8 OUTLIER -60.15 -35.48 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . 0.465 HD22 ' OE2' ' A' ' 208' ' ' GLU . 0.1 OUTLIER -58.72 -54.26 49.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.575 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -62.65 -60.51 7.67 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.509 1.131 . . . . 0.0 111.049 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.877 HD11 HG22 ' A' ' 266' ' ' ILE . 11.8 mt -42.04 -31.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -69.25 -47.03 65.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.37 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 269' ' ' GLY . 21.1 mttt -65.02 -36.58 84.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 0.533 HD11 ' HB2' ' A' ' 201' ' ' LEU . 15.4 mt -72.52 -33.35 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 270' ' ' LEU . 19.0 t -68.95 -47.4 75.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . 0.446 ' CD ' ' HA ' ' A' ' 272' ' ' LYS . 8.6 ptt85 -73.04 -16.01 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.36 -35.17 16.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 0.515 ' O ' ' CG ' ' A' ' 277' ' ' TYR . 6.4 t80 -94.49 1.87 55.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 3.8 p -81.16 114.28 47.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.958 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 124.95 9.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 280' ' ' THR . 8.5 t -172.65 60.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.357 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 8.4 t -167.48 145.03 4.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 2.0 tt -61.65 175.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 2.1 tt -160.52 155.0 23.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -128.78 123.84 33.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.543 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . 0.431 ' CD2' ' H ' ' A' ' 286' ' ' HIS . 9.1 t-80 -172.0 173.14 4.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.624 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . 0.431 ' H ' ' CD2' ' A' ' 285' ' ' HIS . 0.2 OUTLIER -136.56 174.79 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.626 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -97.92 172.71 7.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.538 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -148.3 168.22 23.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.15 . . . . 0.0 109.626 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.626 179.883 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -177.15 80.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.62 140.42 17.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.22 176.93 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.503 ' O ' HG23 ' A' ' 7' ' ' VAL . 6.9 m 69.25 93.35 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.954 HG11 HG21 ' A' ' 34' ' ' ILE . 3.0 t -154.25 -64.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.624 ' CD1' ' CB ' ' A' ' 16' ' ' TRP . 9.8 mt -101.76 150.71 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -86.27 179.68 6.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.7 -57.47 19.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.07 27.86 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.4 ' OE1' HG12 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -59.41 -38.89 81.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 0.726 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.523 ' CD1' HD13 ' A' ' 31' ' ' LEU . 8.7 tp -67.35 -41.61 84.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.82 -31.78 62.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.846 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -77.11 -44.14 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.816 ' CE3' HD12 ' A' ' 85' ' ' LEU . 45.0 t-105 -56.58 -62.41 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 3.5 mt-10 -51.77 -30.02 21.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -50.12 75.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.846 HD12 ' O ' ' A' ' 15' ' ' LYS . 2.1 mp -47.7 133.13 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.863 ' C ' HD23 ' A' ' 21' ' ' LEU . 1.3 mpt_? -98.65 168.3 10.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.863 HD23 ' C ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -151.82 -166.18 2.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.609 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -167.16 -60.19 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.609 ' HD3' ' CB ' ' A' ' 22' ' ' ARG . 18.1 Cg_endo -75.07 122.56 7.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.68 9.98 28.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.388 1.055 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.781 ' HA3' HD12 ' A' ' 21' ' ' LEU . . . -118.75 -179.17 16.9 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 27' ' ' LYS . 21.0 mmtt -112.47 25.08 11.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER 87.09 -7.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.707 ' O ' HD11 ' A' ' 21' ' ' LEU . 32.8 tt0 -157.78 162.37 38.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.793 ' N ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -98.53 149.21 22.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -143.3 171.93 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.523 HD13 ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -62.51 -27.18 68.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -46.11 90.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -63.02 -35.79 81.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.54 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.954 HG21 HG11 ' A' ' 7' ' ' VAL . 3.7 mt -63.12 -50.07 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.49 -42.27 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -62.32 -40.27 95.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 108.024 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.657 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . -59.69 -52.18 66.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.524 ' HA ' HD12 ' A' ' 41' ' ' LEU . 5.4 p -57.81 -35.15 70.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -60.97 -40.09 92.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 3.3 mm-40 -63.63 -34.44 77.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.761 ' O ' HG12 ' A' ' 46' ' ' VAL . 18.8 mt -70.44 -31.94 69.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -71.34 -42.87 67.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -76.57 -16.73 59.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.224 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -82.41 -6.6 59.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 74.36 34.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.761 HG12 ' O ' ' A' ' 41' ' ' LEU . 9.2 p -124.96 149.78 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -64.74 133.91 95.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -19.04 18.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.03 -13.49 48.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.435 HD12 HG22 ' A' ' 46' ' ' VAL . 20.2 mt -76.16 -23.48 54.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 0.721 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.52 ' CD1' ' CD2' ' A' ' 85' ' ' LEU . 6.9 tp -85.47 -2.27 57.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -90.45 -22.24 21.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -126.0 158.44 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.445 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 p -70.13 -31.43 68.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -63.56 -47.3 82.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -64.44 -40.45 97.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.22 -37.9 89.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -43.25 95.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.67 -34.81 77.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.693 HG12 HD22 ' A' ' 41' ' ' LEU . 1.2 mp -73.27 -74.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.581 ' N ' HG22 ' A' ' 60' ' ' ILE . 11.8 tp -41.69 -37.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.44 -48.73 84.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' ILE . 10.3 mt-30 -96.3 21.95 8.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 0.72 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.543 HD23 ' CD2' ' A' ' 79' ' ' TYR . 16.6 tp -108.9 -26.04 10.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.607 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 3.6 tm0? -53.56 -45.14 98.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.06 -40.1 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.838 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.8 m -68.67 -12.33 61.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.939 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.8 mt -70.74 -43.68 68.36 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -74.63 -6.92 51.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.464 1.103 . . . . 0.0 110.364 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.838 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.7 t -119.93 -5.05 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.66 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.74 -99.46 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.56 1.163 . . . . 0.0 111.068 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 13.0 p 168.98 -176.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.994 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -61.24 -41.2 96.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.43 -46.94 58.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.66 HD13 ' CA ' ' A' ' 71' ' ' GLY . 5.1 tt -60.41 -34.11 73.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.545 ' HA ' HD22 ' A' ' 68' ' ' LEU . 2.8 tpt180 -61.76 -42.62 99.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 13.9 t -62.05 -30.96 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -65.3 -47.03 78.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.939 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.0 t80 -59.21 -42.24 90.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.455 ' HB2' ' CG2' ' A' ' 97' ' ' THR . 0.0 OUTLIER -60.13 -29.12 68.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.525 HG21 ' HB2' ' A' ' 37' ' ' ALA . 24.3 m -68.59 -48.0 65.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.142 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.462 HD13 HG21 ' A' ' 60' ' ' ILE . 6.5 mt -68.48 -35.85 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 1.023 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -56.31 -58.87 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.499 ' CG2' ' HA ' ' A' ' 97' ' ' THR . 2.6 t -58.52 -41.38 81.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.816 HD12 ' CE3' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -56.6 -38.91 72.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.433 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 34.7 t80 -61.96 -42.48 99.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.569 ' HA ' HD13 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -68.18 -39.02 82.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.4 HG12 ' OE1' ' A' ' 12' ' ' GLU . 4.1 t -62.11 -42.75 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.502 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 7.7 m-70 -56.09 -40.04 73.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.496 ' HB2' HD12 ' A' ' 92' ' ' ILE . 2.4 mm-40 -87.16 -19.55 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 87' ' ' CYS . 0.1 OUTLIER 79.67 40.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.663 HG22 HG13 ' A' ' 94' ' ' VAL . 1.7 mp -75.96 141.03 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.82 101.35 0.64 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.663 HG13 HG22 ' A' ' 92' ' ' ILE . 27.0 m -135.88 154.8 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.12 23.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 178.78 157.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.499 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.8 m -60.43 -34.87 74.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -31.4 70.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -42.78 96.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 104' ' ' ILE . . . -70.24 -39.74 74.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.742 HD12 HD11 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -53.92 -46.79 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -73.9 -41.72 61.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.46 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -62.54 -63.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.023 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -54.76 -27.67 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -54.08 49.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -61.2 -46.71 89.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.91 -51.02 59.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -55.13 -54.74 39.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.94 -38.47 61.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.398 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -66.21 -43.34 86.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -64.59 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 113' ' ' LYS . 2.1 ptmm? -41.7 -38.88 1.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -56.71 -59.36 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -48.69 31.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.4 -54.72 32.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.7 -52.56 47.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.14 -50.95 60.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.01 -51.74 60.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.95 -53.19 53.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -45.54 -47.68 14.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.84 -57.1 13.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 69.2 p -67.41 104.12 1.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -151.75 133.24 4.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.435 1.084 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -155.63 167.78 29.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.583 0.814 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -179.37 164.99 1.39 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.2 p -169.78 170.5 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.948 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -146.35 171.4 15.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -131.91 176.32 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.25 170.54 17.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -146.34 171.46 14.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -141.68 167.79 21.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -154.56 93.44 2.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 179.24 6.29 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.429 1.752 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.7 tt -129.12 174.06 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.4 m -144.72 176.32 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.153 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -141.19 171.06 14.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.364 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -162.67 167.82 22.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.0 mp -145.79 176.77 9.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -161.72 170.77 19.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -62.24 -159.46 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -153.05 59.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.0 110.217 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.4 mpp? 56.28 168.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.571 HG13 ' O ' ' A' ' 143' ' ' VAL . 12.4 p -167.78 64.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.38 1.05 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.678 ' N ' HG21 ' A' ' 247' ' ' ILE . 54.3 p-80 -66.56 102.73 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.639 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -111.71 104.1 12.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.51 166.35 23.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.829 HD12 ' OD1' ' A' ' 183' ' ' ASP . 0.7 OUTLIER -82.32 141.85 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.49 162.26 45.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -24.43 12.74 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.484 1.781 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -41.13 93.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.613 HG21 HG12 ' A' ' 147' ' ' ILE . 0.7 OUTLIER -72.17 -35.65 69.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.416 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.851 HD11 HG21 ' A' ' 186' ' ' THR . 29.4 mt -66.51 -32.92 74.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.71 -47.53 62.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.52 76.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.658 ' HZ2' HG23 ' A' ' 191' ' ' VAL . 1.8 t90 -61.96 -49.03 77.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 152' ' ' LEU . 3.5 t -45.14 -44.16 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -35.05 76.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.596 1.185 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.635 HG21 ' CE ' ' A' ' 171' ' ' MET . 98.2 t -71.09 -45.7 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.519 HG23 ' NE1' ' A' ' 155' ' ' TRP . 2.6 t -55.12 -33.68 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -78.44 -39.22 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -85.63 12.22 9.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.719 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -154.26 -77.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.87 -48.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 197' ' ' ALA . 4.0 m-85 -165.88 76.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.419 ' O ' HG12 ' A' ' 168' ' ' VAL . 0.7 OUTLIER -127.23 170.61 9.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -19.22 18.28 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.17 -1.57 56.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.583 1.177 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 165' ' ' SER . 0.4 OUTLIER -102.08 -34.21 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.606 HD11 ' C ' ' A' ' 270' ' ' LEU . 3.3 mt -53.55 -47.72 95.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.4 Cg_endo -74.97 -35.88 2.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.586 1.835 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.635 ' CE ' HG21 ' A' ' 158' ' ' VAL . 0.0 OUTLIER -62.08 -34.35 76.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.969 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.599 ' CD2' ' SD ' ' A' ' 187' ' ' MET . 1.2 t80 -66.81 -43.18 84.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . 0.573 ' HB3' HD11 ' A' ' 267' ' ' ILE . 9.9 p -58.31 -39.99 80.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.31 -45.42 93.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 155' ' ' TRP . 0.1 OUTLIER -75.83 -10.61 59.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.828 ' OG ' HD21 ' A' ' 184' ' ' LEU . 3.2 t -106.63 14.07 27.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 178' ' ' GLY . 41.3 tt0 -40.09 105.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 177' ' ' GLU . . . 37.17 67.69 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.735 ' HB1' ' OD2' ' A' ' 183' ' ' ASP . . . -103.91 -175.46 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.918 HG21 HD11 ' A' ' 247' ' ' ILE . 1.0 OUTLIER -112.12 -175.23 0.31 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 110.407 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.3 Cg_endo -75.05 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -34.33 72.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.829 ' OD1' HD12 ' A' ' 147' ' ' ILE . 4.0 t0 -77.63 -49.91 13.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.828 HD21 ' OG ' ' A' ' 176' ' ' SER . 35.7 mt -64.12 -32.44 74.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 181' ' ' PRO . 4.3 t-20 -65.6 -38.79 90.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.851 HG21 HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -60.55 -42.71 97.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.602 ' O ' ' CZ2' ' A' ' 155' ' ' TRP . 7.2 ttm -67.81 -46.38 72.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.523 HD22 ' CE ' ' A' ' 198' ' ' MET . 9.7 mt -81.69 7.5 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 185' ' ' ASN . 5.0 t30 -100.58 -49.5 4.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 191' ' ' VAL . 3.3 t -98.64 10.76 40.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.373 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.794 HG11 ' CE ' ' A' ' 198' ' ' MET . 1.3 p -51.11 -175.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.608 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -162.17 83.78 0.12 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 111.071 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . 0.561 ' HA2' ' HB1' ' A' ' 163' ' ' ALA . . . -134.03 -62.13 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.407 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 0.2 OUTLIER 169.31 133.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.557 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -57.44 -42.48 82.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.95 -48.99 77.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . 0.609 ' HB1' ' CG2' ' A' ' 273' ' ' ILE . . . -59.94 -49.17 78.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.794 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -57.93 -33.55 68.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -48.97 79.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -41.58 96.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.92 ' HB2' HD11 ' A' ' 273' ' ' ILE . 16.0 tp -57.95 -42.75 85.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 206' ' ' ASN . 7.0 tttp -68.07 -29.65 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 3.8 tt0 -67.27 -45.03 77.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.06 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.5 -49.01 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.973 HD11 ' HA ' ' A' ' 266' ' ' ILE . 16.7 mt -59.45 -55.66 22.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.241 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 202' ' ' LYS . 23.3 t-20 -58.64 -34.66 71.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 3.5 tt0 -65.7 -31.58 72.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.53 -36.94 81.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.517 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -73.73 -48.62 30.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.2 -47.67 74.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.31 -33.81 74.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . 0.802 ' CZ3' HD11 ' A' ' 215' ' ' LEU . 0.0 OUTLIER -57.3 -64.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.13 -33.07 70.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -58.9 -33.62 70.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.258 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.802 HD11 ' CZ3' ' A' ' 212' ' ' TRP . 1.9 pp -106.59 -4.51 19.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . 0.565 ' ND1' HG23 ' A' ' 218' ' ' VAL . 7.8 t-80 -111.04 119.14 46.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.627 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 56.27 4.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.562 1.822 . . . . 0.0 111.053 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 0.704 HG21 ' HD3' ' A' ' 232' ' ' ARG . 58.6 t -78.94 137.53 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -174.97 59.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.639 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -95.22 173.82 7.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -96.04 -142.93 13.64 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . . . . . . . . . 6.2 tp -46.54 146.57 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.946 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -57.53 157.9 12.55 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 104.81 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.454 1.765 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 101.73 -19.18 51.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.946 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 9.4 mm-40 -92.2 159.01 15.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.615 0.833 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.627 ' HE3' ' CD2' ' A' ' 249' ' ' TRP . 8.6 ttm -128.52 151.02 49.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 230' ' ' GLU . 6.4 ptt-85 -96.29 -179.09 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 229' ' ' ARG . 28.0 mt-10 -37.47 148.38 0.21 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.474 ' O ' ' CZ ' ' A' ' 232' ' ' ARG . 18.2 Cg_endo -75.01 107.05 2.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.442 1.759 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . 0.704 ' HD3' HG21 ' A' ' 218' ' ' VAL . 0.0 OUTLIER -117.28 146.37 43.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.517 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -36.97 -38.25 0.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 2.5 p -60.28 -51.77 68.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 109.918 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . 0.472 ' OD1' ' CB ' ' A' ' 241' ' ' SER . 1.9 t70 -65.6 -37.35 86.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.07 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.722 HD13 HG21 ' A' ' 261' ' ' ILE . 26.2 mt -60.29 -26.62 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . . . . . . . . . . . -85.73 -15.88 40.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 68.84 32.32 73.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.25 -38.28 13.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . . . . . . . . . 5.0 t -109.54 -2.32 17.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . 0.472 ' CB ' ' OD1' ' A' ' 235' ' ' ASP . 1.9 t -126.41 145.9 50.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.966 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 245' ' ' GLU . 0.4 OUTLIER -81.77 160.27 23.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.606 HD13 ' CG1' ' A' ' 247' ' ' ILE . 2.9 tm? -55.88 -61.11 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -44.5 -27.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.53 ' CG ' ' HE2' ' A' ' 228' ' ' MET . 0.5 OUTLIER -69.69 -49.66 51.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -67.34 -42.65 83.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.918 HD11 HG21 ' A' ' 180' ' ' THR . 45.0 mm -48.0 -56.86 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 252' ' ' HIS . . . -59.72 -41.18 97.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.627 ' CD2' ' HE3' ' A' ' 228' ' ' MET . 0.1 OUTLIER -58.74 -31.61 68.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.4 tpp -68.14 -39.17 82.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . . . . . . . . . 67.8 p -108.36 22.4 15.98 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 253' ' ' ASN . 82.0 t60 -85.27 169.5 13.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.647 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.495 ' N ' ' CG ' ' A' ' 252' ' ' HIS . 9.3 t-20 -120.35 111.41 35.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.4 Cg_endo -74.98 159.83 97.44 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.011 -0.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.481 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.5 Cg_endo -75.04 119.88 5.83 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.56 114.2 61.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 56.34 4.26 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.477 ' CG2' HG12 ' A' ' 236' ' ' ILE . 0.4 OUTLIER -54.98 -43.66 70.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . . . . . . . . . . . -60.51 -41.33 98.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.58 -38.85 77.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.722 HG21 HD13 ' A' ' 236' ' ' ILE . 18.8 mt -64.22 -46.09 94.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.162 . . . . 0.0 109.352 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -47.28 73.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.464 ' CE ' ' HB2' ' A' ' 173' ' ' SER . 0.8 OUTLIER -56.7 -45.92 81.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -61.16 -40.0 92.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 261' ' ' ILE . 40.5 m0 -62.14 -47.44 84.57 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.973 ' HA ' HD11 ' A' ' 205' ' ' ILE . 94.3 mt -57.62 -46.67 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.573 HD11 ' HB3' ' A' ' 173' ' ' SER . 0.2 OUTLIER -59.61 -32.57 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -56.53 21.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.71 ' HA3' HD12 ' A' ' 201' ' ' LEU . . . -61.98 -56.94 19.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.838 HD11 HG22 ' A' ' 266' ' ' ILE . 12.5 mt -46.33 -33.27 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 0.797 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . 0.435 ' HA ' ' CD1' ' A' ' 169' ' ' ILE . 1.3 m-20 -63.74 -45.74 88.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -68.9 -37.46 79.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.229 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . 0.92 HD11 ' HB2' ' A' ' 201' ' ' LEU . 47.6 mt -59.72 -46.22 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 270' ' ' LEU . 77.0 t -69.07 -45.99 79.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -58.28 -16.33 13.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 4.5 tpt -95.62 -37.89 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 0.535 ' O ' ' CG ' ' A' ' 277' ' ' TYR . 15.6 t80 -95.44 18.19 13.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.0 150.19 92.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 280' ' ' THR . 18.3 Cg_endo -75.03 -179.14 4.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 279' ' ' PRO . 77.4 p -38.72 104.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.37 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.62 90.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.95 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . 0.437 HD13 ' N ' ' A' ' 283' ' ' LEU . 0.4 OUTLIER -171.44 124.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . 0.437 ' N ' HD13 ' A' ' 282' ' ' ILE . 0.3 OUTLIER -114.18 81.03 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.336 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -150.53 162.79 39.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.58 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.74 172.5 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.561 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -142.43 174.83 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.601 1.188 . . . . 0.0 109.617 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -146.81 165.41 29.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.615 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -160.83 172.51 16.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.54 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.627 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.18 100.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 0.0 109.355 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.36 155.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 64.24 161.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 7' ' ' VAL . 78.5 p 178.43 98.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.962 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.07 HG11 HG21 ' A' ' 34' ' ' ILE . 30.3 t -153.19 -62.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.861 HD21 HD12 ' A' ' 85' ' ' LEU . 11.2 mt -102.48 155.46 18.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.04 179.75 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.88 -57.67 18.62 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.35 -40.55 23.4 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.04 -39.38 81.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.783 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.567 HD11 HD13 ' A' ' 31' ' ' LEU . 5.7 tp -69.77 -36.05 75.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.29 -33.15 74.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' O ' HG12 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -76.29 -45.46 32.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.707 ' CZ3' HD22 ' A' ' 85' ' ' LEU . 17.9 t-105 -56.59 -50.65 71.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 107.995 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.01 -21.76 66.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -2.41 28.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.518 ' CD1' HG23 ' A' ' 94' ' ' VAL . 1.6 mm -84.71 145.34 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 27' ' ' LYS . 7.7 mtp180 -105.43 151.56 24.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.484 HD21 ' CG ' ' A' ' 29' ' ' TYR . 13.6 mt -101.89 -162.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -78.78 170.17 17.38 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 129.7 12.53 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.19 -0.9 60.44 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.28 -163.73 21.89 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -34.45 66.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 0.773 . . . . 0.0 109.363 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER 80.19 -2.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -155.04 149.21 25.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.699 ' CD2' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -91.43 152.56 20.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.938 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HG2' ' CD2' ' A' ' 33' ' ' HIS . 0.6 OUTLIER -140.71 174.59 10.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.567 HD13 HD11 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -61.67 -27.84 68.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -45.59 93.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 10.9 m170 -63.73 -35.95 82.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.621 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.07 HG21 HG11 ' A' ' 7' ' ' VAL . 4.3 mt -63.27 -50.34 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.429 HG13 ' NH1' ' A' ' 39' ' ' ARG . 2.4 t -51.76 -41.94 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.1 . . . . 0.0 109.27 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -62.17 -42.61 99.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 0.0 108.019 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.08 ' HB2' HG21 ' A' ' 81' ' ' THR . . . -59.19 -53.13 61.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.561 ' OG ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -59.78 -35.32 74.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.429 ' NH1' HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -60.9 -41.19 95.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.49 -35.04 79.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 95.5 mt -67.79 -41.53 83.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.83 -35.41 68.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -75.73 -25.58 56.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.606 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 31.0 t80 -75.95 -6.07 49.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 44' ' ' PHE . . . 77.69 30.98 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 41' ' ' LEU . 1.3 p -123.77 150.3 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -63.72 131.13 94.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -18.79 18.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.45 -10.17 56.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.828 HD12 HD11 ' A' ' 60' ' ' ILE . 23.8 mt -75.52 -26.3 57.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.747 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.562 HD13 HG22 ' A' ' 82' ' ' ILE . 11.8 tp -78.82 -10.14 59.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -83.25 -22.03 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.2 p -125.87 153.55 43.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.52 ' HB3' ' CG ' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -69.99 -29.03 66.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -49.94 67.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.425 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -69.75 -38.61 76.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.576 1.172 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 46.8 t -64.06 -39.69 94.63 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -59.9 -39.58 85.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -62.89 -43.43 98.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.828 HD11 HD12 ' A' ' 50' ' ' LEU . 1.2 mp -68.85 -70.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.476 ' N ' HG22 ' A' ' 60' ' ' ILE . 12.8 tp -42.41 -37.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.92 -48.92 83.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.62 1.2 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -93.51 19.08 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 0.808 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.005 HD22 HD11 ' A' ' 82' ' ' ILE . 2.8 tp -108.45 -23.35 11.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.608 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 tm0? -54.6 -44.87 99.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.02 -39.88 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.829 ' HA ' HG22 ' A' ' 70' ' ' THR . 0.5 OUTLIER -67.34 -11.87 58.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.932 HD11 ' CG ' ' A' ' 79' ' ' TYR . 6.6 mt -70.66 -45.01 65.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.84 -7.18 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.829 HG22 ' HA ' ' A' ' 67' ' ' SER . 2.2 t -119.49 -6.01 10.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.749 ' CA ' HD13 ' A' ' 75' ' ' LEU . . . -81.34 -98.79 0.39 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 71' ' ' GLY . 30.9 p 165.49 -176.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -58.57 -41.09 84.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -47.11 55.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.335 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.749 HD13 ' CA ' ' A' ' 71' ' ' GLY . 7.4 tt -58.77 -34.59 71.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.517 ' HA ' HD22 ' A' ' 68' ' ' LEU . 2.2 mmm180 -62.5 -46.08 90.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.0 t -56.22 -34.09 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.519 ' CD1' HD21 ' A' ' 64' ' ' LEU . 1.2 tm? -62.95 -47.37 83.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.932 ' CG ' HD11 ' A' ' 68' ' ' LEU . 2.4 t80 -61.81 -33.83 74.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.845 ' OD1' HD13 ' A' ' 101' ' ' LEU . 1.9 t-20 -70.48 -27.6 64.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 1.08 HG21 ' HB2' ' A' ' 37' ' ' ALA . 28.4 m -70.69 -49.3 48.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.005 HD11 HD22 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -69.3 -44.23 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 1.011 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -48.3 -52.19 22.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.686 HG22 ' CB ' ' A' ' 100' ' ' ALA . 6.8 t -58.62 -44.76 90.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.861 HD12 HD21 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -57.09 -34.98 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 83' ' ' ALA . 19.1 t80 -60.54 -44.71 95.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -67.11 -32.32 73.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 108.322 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.63 -42.9 93.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.52 ' CG ' ' HB3' ' A' ' 54' ' ' SER . 2.0 t-80 -80.26 -18.69 48.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.629 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.609 ' CG ' ' CD1' ' A' ' 92' ' ' ILE . 29.3 tp60 -84.99 -19.81 31.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 0.0 OUTLIER 88.11 11.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.799 HG22 HG13 ' A' ' 94' ' ' VAL . 0.9 OUTLIER -75.5 141.85 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -99.3 106.06 18.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.799 HG13 HG22 ' A' ' 92' ' ' ILE . 22.5 m -115.25 173.8 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -112.84 -69.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -107.09 171.52 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.799 HG22 ' CG ' ' A' ' 80' ' ' ASN . 99.4 m -59.97 -44.3 94.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.453 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -35.47 72.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.66 -31.73 72.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.849 ' O ' HG23 ' A' ' 104' ' ' ILE . . . -67.5 -40.75 85.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.845 HD13 ' OD1' ' A' ' 80' ' ' ASN . 1.0 OUTLIER -56.47 -46.27 80.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -72.5 -38.77 68.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.707 ' HG2' HG12 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -66.5 -62.76 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.011 HD13 ' HB1' ' A' ' 83' ' ' ALA . 3.2 pt -55.66 -27.73 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 7.2 mt-10 -58.65 -54.05 51.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.3 -50.59 73.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -52.01 -51.02 60.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -55.33 -52.83 62.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.262 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -53.04 -43.87 66.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -55.47 34.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.12 -50.67 47.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.964 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -57.32 11.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -48.54 -40.84 28.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -42.49 95.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.46 -67.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -48.52 -42.63 33.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.085 . . . . 0.0 110.247 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.415 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 8.3 tm0? -58.76 -54.94 41.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.38 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.761 ' O ' HG23 ' A' ' 122' ' ' THR . . . -52.86 -49.39 65.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.03 79.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.36 2.0 26.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.74 -8.45 14.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 118' ' ' ALA . 45.8 p -115.81 65.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -89.17 58.02 3.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.604 1.19 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -164.81 92.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 0.755 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.42 167.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.9 128.49 4.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.76 137.69 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.6 p -171.95 146.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.7 p 178.39 151.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.22 156.85 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -178.87 150.82 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -174.38 92.24 0.32 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -179.16 4.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.3 tt -165.22 149.92 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.361 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.4 m -147.25 173.24 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -176.68 149.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.1 p30 176.39 124.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.94 170.94 11.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 61.66 143.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 138.75 99.76 0.48 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.04 171.41 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.6 159.68 41.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.474 HG22 ' H ' ' A' ' 144' ' ' HIS . 8.9 p -119.1 168.92 10.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.519 ' HB3' HD13 ' A' ' 247' ' ' ILE . 8.2 p-80 -66.68 125.35 25.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.617 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.91 113.06 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.8 166.66 23.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.543 HG12 HG21 ' A' ' 151' ' ' THR . 2.2 tt -98.48 143.55 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.403 1.064 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.842 ' O ' HG22 ' A' ' 151' ' ' THR . 0.0 OUTLIER -85.65 154.92 59.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.957 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.696 ' HA ' HD12 ' A' ' 152' ' ' LEU . 18.4 Cg_endo -74.95 -16.85 20.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -65.2 -38.72 91.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.996 ' OG1' HD22 ' A' ' 175' ' ' LEU . 3.3 t -73.3 -32.54 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.437 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 156' ' ' VAL . 5.8 mt -71.94 -44.19 64.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -72.35 -38.44 68.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.38 -48.86 73.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 109.219 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' TRP . . . . . 0.675 ' CZ2' HG23 ' A' ' 191' ' ' VAL . 9.8 t90 -62.12 -43.95 97.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 108.039 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 152' ' ' LEU . 7.0 t -44.79 -43.84 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -69.64 -36.42 76.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 155' ' ' TRP . 4.3 t -63.38 -37.48 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.536 HG23 ' CD1' ' A' ' 155' ' ' TRP . 59.0 t -65.88 -32.09 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -19.69 59.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -102.36 -82.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.71 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 2.9 mptt -63.45 -67.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 162' ' ' LYS . . . 85.96 -47.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.703 ' O ' HG22 ' A' ' 274' ' ' VAL . 1.9 p90 -167.79 66.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.78 171.91 4.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -19.18 18.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.71 1.86 49.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.921 HG22 ' CE1' ' A' ' 172' ' ' PHE . 0.4 OUTLIER -102.88 -34.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.612 ' N ' ' CD ' ' A' ' 170' ' ' PRO . 0.5 OUTLIER -55.59 -46.36 99.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.309 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 169' ' ' ILE . 18.3 Cg_endo -75.0 -33.58 4.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.402 ' C ' ' SD ' ' A' ' 171' ' ' MET . 3.1 tmm? -61.51 -44.32 97.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . 0.921 ' CE1' HG22 ' A' ' 168' ' ' VAL . 15.8 m-30 -61.93 -44.25 97.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' SER . . . . . 0.896 ' HB3' HD11 ' A' ' 267' ' ' ILE . 11.8 p -71.15 -25.79 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.957 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.96 92.62 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.996 HD22 ' OG1' ' A' ' 151' ' ' THR . 0.1 OUTLIER -77.25 -31.92 55.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.717 ' OG ' HD21 ' A' ' 184' ' ' LEU . 2.9 t -84.21 7.21 19.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.953 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -45.15 101.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 63.68 52.63 44.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -94.06 -175.35 3.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.973 HG21 HD11 ' A' ' 247' ' ' ILE . 0.7 OUTLIER -115.9 -171.22 0.2 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.425 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' PRO . . . . . 0.615 ' CD ' ' CB ' ' A' ' 180' ' ' THR . 18.1 Cg_endo -75.02 -38.97 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -68.98 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.436 ' OD1' ' C ' ' A' ' 183' ' ' ASP . 0.0 OUTLIER -44.89 -40.66 6.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.717 HD21 ' OG ' ' A' ' 176' ' ' SER . 47.0 mt -70.45 -41.95 72.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -55.28 -42.84 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.616 ' CG2' HD21 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -66.45 -42.01 88.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 110.384 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.54 ' SD ' ' CZ3' ' A' ' 155' ' ' TRP . 0.0 OUTLIER -61.38 -45.42 94.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.567 HD12 ' HH2' ' A' ' 155' ' ' TRP . 1.3 mp -79.61 -4.39 51.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -94.6 -18.51 21.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.527 ' HB ' HD22 ' A' ' 152' ' ' LEU . 1.5 t -97.18 -22.05 16.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.45 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.825 HG11 ' CE ' ' A' ' 198' ' ' MET . 0.4 OUTLIER -50.03 179.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . 0.438 ' H ' HG22 ' A' ' 191' ' ' VAL . . . -172.59 52.93 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 194' ' ' HIS . . . -99.03 23.11 37.76 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 193' ' ' GLY . 1.7 t-80 90.02 131.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -57.83 -37.36 73.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -56.32 -49.37 74.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.17 75.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' MET . . . . . 0.825 ' CE ' HG11 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -58.1 -33.22 68.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -65.03 -47.88 75.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.182 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 28.2 mtm -58.86 -46.34 88.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' LEU . . . . . 0.702 HD13 ' HA3' ' A' ' 269' ' ' GLY . 2.3 tp -67.2 -38.68 85.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -55.98 -39.52 71.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 207' ' ' GLU . 1.2 tt0 -66.82 -37.02 83.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.262 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -36.53 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.48 HD11 HD11 ' A' ' 201' ' ' LEU . 7.7 mt -70.02 -56.36 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.16 -42.88 86.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 203' ' ' GLU . 31.5 tt0 -65.87 -29.66 70.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.44 -38.97 91.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.447 ' CB ' ' HA3' ' A' ' 233' ' ' GLY . . . -68.67 -49.09 61.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 210' ' ' ALA . . . . . . . . . . . . . . . -55.25 -48.07 74.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.448 1.092 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.93 -36.58 82.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 212' ' ' TRP . . . . . 0.629 ' CE3' HD21 ' A' ' 215' ' ' LEU . 58.2 t-105 -58.72 -50.02 75.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.59 -33.24 66.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 214' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -59.48 -41.99 91.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 215' ' ' LEU . . . . . 0.629 HD21 ' CE3' ' A' ' 212' ' ' TRP . 2.7 pp -89.78 0.04 57.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 216' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.12 98.15 37.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.6 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 217' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 86.25 1.44 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 70.7 t -115.39 98.55 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.396 1.06 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 219' ' ' HIS . . . . . 0.555 ' O ' ' HB3' ' A' ' 220' ' ' ALA . 0.1 OUTLIER -139.17 -177.81 5.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.605 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 219' ' ' HIS . . . 74.06 112.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . 60.04 124.26 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 222' ' ' PRO . . . . . 0.432 ' O ' ' CG1' ' A' ' 223' ' ' ILE . 18.5 Cg_endo -74.96 54.53 3.65 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.536 1.808 . . . . 0.0 111.056 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 223' ' ' ILE . . . . . 0.699 HG21 ' CG ' ' A' ' 229' ' ' ARG . 5.7 pt 48.74 -175.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.974 ' HB3' ' HB2' ' A' ' 227' ' ' GLN . . . -103.31 159.18 30.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 225' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.26 2.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 226' ' ' GLY . . . . . . . . . . . . . . . 93.75 -23.24 31.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.974 ' HB2' ' HB3' ' A' ' 224' ' ' ALA . 38.9 mm-40 -76.66 117.65 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 228' ' ' MET . . . . . 0.593 ' HB3' ' CZ2' ' A' ' 249' ' ' TRP . 0.0 OUTLIER -66.02 119.07 10.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 0.699 ' CG ' HG21 ' A' ' 223' ' ' ILE . 0.0 OUTLIER -95.03 -176.71 3.92 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 229' ' ' ARG . 1.5 mp0 -33.41 137.83 0.28 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 231' ' ' PRO . . . . . 0.902 ' CG ' HG21 ' A' ' 256' ' ' ILE . 18.0 Cg_endo -75.11 88.17 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.759 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 232' ' ' ARG . . . . . 0.544 ' NH2' HG21 ' A' ' 240' ' ' THR . 1.3 ptt180 -86.13 -175.55 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 233' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 209' ' ' ALA . . . -72.07 -39.02 59.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . 0.83 ' O ' HG22 ' A' ' 239' ' ' THR . 0.9 OUTLIER -65.46 -52.45 52.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 0.0 110.01 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -59.77 -44.44 93.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 236' ' ' ILE . . . . . 0.691 HG12 HG22 ' A' ' 258' ' ' VAL . 52.1 mt -60.32 -21.01 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 237' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 234' ' ' SER . . . -79.41 -22.09 44.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 238' ' ' GLY . . . . . . . . . . . . . . . 93.14 21.72 29.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . 0.83 HG22 ' O ' ' A' ' 234' ' ' SER . 4.5 t -75.68 -37.03 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 240' ' ' THR . . . . . 0.819 HG23 HG23 ' A' ' 239' ' ' THR . 72.0 p -123.36 -1.99 8.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 241' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.35 140.4 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 242' ' ' THR . . . . . 0.588 HG23 ' N ' ' A' ' 243' ' ' LEU . 0.4 OUTLIER -89.82 176.69 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . 0.643 HD22 HD12 ' A' ' 247' ' ' ILE . 3.2 tm? -69.67 -53.1 20.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 244' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -53.88 -56.39 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.4 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.55 ' H ' HG22 ' A' ' 242' ' ' THR . 5.7 mt-10 -60.32 -33.21 72.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.247 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 246' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 242' ' ' THR . 8.5 mm-40 -64.0 -65.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 247' ' ' ILE . . . . . 0.973 HD11 HG21 ' A' ' 180' ' ' THR . 0.7 OUTLIER -45.0 -37.03 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 248' ' ' GLY . . . . . . . . . . . . . . . -65.64 -36.03 91.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 249' ' ' TRP . . . . . 0.593 ' CZ2' ' HB3' ' A' ' 228' ' ' MET . 0.3 OUTLIER -73.28 -47.77 40.21 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 3.9 ptp -68.74 -13.52 62.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 251' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 251' ' ' THR . 98.6 m -118.29 21.9 12.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 252' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 255' ' ' PRO . 1.2 t-80 -89.41 176.53 6.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.531 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 253' ' ' ASN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 254' ' ' PRO . 4.8 t30 -125.39 111.43 26.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 253' ' ' ASN . 18.3 Cg_endo -74.95 155.0 99.99 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.967 -0.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 252' ' ' HIS . 18.2 Cg_endo -75.08 120.05 5.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 256' ' ' ILE . . . . . 0.902 HG21 ' CG ' ' A' ' 231' ' ' PRO . 11.2 mt -81.32 136.18 49.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . 0.692 ' O ' HD12 ' A' ' 261' ' ' ILE . 18.1 Cg_endo -75.06 53.45 3.37 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 258' ' ' VAL . . . . . 0.691 HG22 HG12 ' A' ' 236' ' ' ILE . 2.2 t -65.39 -63.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 259' ' ' GLY . . . . . 0.406 ' N ' HG12 ' A' ' 258' ' ' VAL . . . -61.13 -39.69 97.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -65.02 -35.42 81.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 110.362 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 261' ' ' ILE . . . . . 0.692 HD12 ' O ' ' A' ' 257' ' ' PRO . 6.8 mt -64.73 -43.39 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . 0.582 ' HA ' ' CE3' ' A' ' 265' ' ' TRP . 1.4 t80 -64.45 -47.35 79.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . 0.76 ' HE3' HD13 ' A' ' 267' ' ' ILE . 0.0 OUTLIER -56.86 -43.88 81.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.372 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -56.72 -34.09 67.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.662 ' CZ2' HG22 ' A' ' 261' ' ' ILE . 46.7 m0 -62.5 -47.83 82.22 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . 0.878 HG22 HD11 ' A' ' 270' ' ' LEU . 72.1 mt -57.53 -46.97 86.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.896 HD11 ' HB3' ' A' ' 173' ' ' SER . 0.6 OUTLIER -60.01 -31.16 47.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -57.43 12.84 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.397 1.06 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 269' ' ' GLY . . . . . 0.702 ' HA3' HD13 ' A' ' 201' ' ' LEU . . . -61.96 -59.0 10.31 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 0.0 111.061 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 270' ' ' LEU . . . . . 0.878 HD11 HG22 ' A' ' 266' ' ' ILE . 11.0 mt -42.6 -28.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 271' ' ' ASN . . . . . 0.416 ' N ' HD11 ' A' ' 169' ' ' ILE . 0.9 OUTLIER -70.47 -47.59 59.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 269' ' ' GLY . 11.1 tttt -67.7 -43.55 79.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 273' ' ' ILE . . . . . . . . . . . . . 52.1 mt -60.57 -46.18 95.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 274' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 164' ' ' PHE . 38.4 t -62.96 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -67.06 -16.37 64.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 276' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -37.88 57.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.83 18.1 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 87.9 p -71.96 113.7 22.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 279' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 64.23 6.02 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 280' ' ' THR . . . . . . . . . . . . . 3.0 m -156.85 125.85 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 281' ' ' SER . . . . . . . . . . . . . 2.7 t -134.47 135.9 42.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.051 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 282' ' ' ILE . . . . . . . . . . . . . 91.1 mt -141.45 -64.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 51.82 177.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 284' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -176.7 99.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.56 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 285' ' ' HIS . . . . . 0.447 ' CG ' ' N ' ' A' ' 286' ' ' HIS . 1.2 t-80 -172.35 160.59 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.615 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 286' ' ' HIS . . . . . 0.496 ' HB3' ' CD2' ' A' ' 287' ' ' HIS . 13.9 m-70 -142.05 -62.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.582 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 287' ' ' HIS . . . . . 0.533 ' O ' ' CG ' ' A' ' 288' ' ' HIS . 7.3 p80 -178.7 148.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.607 1.192 . . . . 0.0 109.629 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 288' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 287' ' ' HIS . 7.3 m-70 -171.29 106.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.58 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 289' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 0.0 109.635 179.967 . . . . . . . . 0 0 . 1 stop_ save_